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• Synonyms (0)
• Vendors (5)
• Annotations (0)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC21726122

• 21726122

Physical Representations

Activity (Go SEA)

• 21177290
  

  Analogs

  21661059

  

  21661061

  

  21661083

  

  21661085

  

  21661087

  

  Popular Name: (4R)-1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-on (4R)-1-(1,3-benzothiazol-2-yl)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440420

  • Molport

    • MolPort-007-694-127

  • Mcule

    • MCULE-6442433328

  • SMDC CDiv Kinase

    • 140490

  • AKOS (make-on-demand)

    • AKOS001525939

  And 2 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.70	11.98	-10.8	1	5	0	60	388.496	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177290
• 21177285
  

  Analogs

  21660670

  

  21660672

  

  21661059

  

  21661061

  

  21661083

  

  Popular Name: (4S)-1-(1,3-benzothiazol-2-yl)-4-(4-ethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-on (4S)-1-(1,3-benzothiazol-2-yl)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440420

  • Molport

    • MolPort-007-694-127

  • Mcule

    • MCULE-6442433328

  • SMDC CDiv Kinase

    • 140490

  • AKOS (make-on-demand)

    • AKOS001525939

  And 2 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.70	11.92	-17.34	1	5	0	60	388.496	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177285
• 21177275
  

  Analogs

  21660670

  

  21660672

  

  21661083

  

  21661085

  

  21661087

  

  Popular Name: (4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(p-tolyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-1-(1,3-benzothiazol-2-yl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440418

  • Molport

    • MolPort-007-694-126

  • Mcule

    • MCULE-7777129655

  • SMDC CDiv Kinase

    • 140480

  • Ambinter

    • Amb16661960

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.24	11.15	-17.5	1	5	0	60	374.469	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177275
• 21177280
  

  Analogs

  21660670

  

  21660672

  

  21661059

  

  21661061

  

  21726122

  

  Popular Name: (4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(p-tolyl)-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-1-(1,3-benzothiazol-2-yl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440418

  • Molport

    • MolPort-007-694-126

  • Mcule

    • MCULE-7777129655

  • SMDC CDiv Kinase

    • 140480

  • Ambinter

    • Amb16661960

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.24	11.22	-10.96	1	5	0	60	374.469	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177280
• 15868195
  

  Analogs

  15868196

  

  21177275

  

  21177280

  

  21177285

  

  21177290

  

  Popular Name: 4-[(4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonit 4-[(4S)-1-(1,3-benzothiazol-2-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27193704

  • Molport

    • MolPort-007-899-622

  • Mcule

    • MCULE-5882462452

  • Ambinter

    • Amb16511838

  • Mcule Make-on-demand

    • MCULE-5882462452

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.55	10.9	-21.97	1	6	0	84	385.452	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC15868195
• 15868196
  

  Analogs

  21177275

  

  21177280

  

  21177285

  

  21177290

  

  21726122

  

  Popular Name: 4-[(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzonit 4-[(4R)-1-(1,3-benzothiazol-2-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27193704

  • Molport

    • MolPort-007-899-622

  • Mcule

    • MCULE-5882462452

  • Ambinter

    • Amb16511838

  • Mcule Make-on-demand

    • MCULE-5882462452

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.55	10.88	-16.2	1	6	0	84	385.452	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC15868196
• 21177261
  

  Analogs

  21661083

  

  21661085

  

  21661087

  

  21661089

  

  21661164

  

  Popular Name: (4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4R)-1-(1,3-benzothiazol-2-yl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440412

  • Molport

    • MolPort-007-694-123

  • Mcule

    • MCULE-5396283132

  • SMDC CDiv Kinase

    • 140460

  • Ambinter

    • Amb16661963

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.79	10.24	-13.48	1	5	0	60	360.442	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177261
• 21177255
  

  Analogs

  21661083

  

  21661085

  

  21661087

  

  21661089

  

  21661161

  

  Popular Name: (4S)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-phenyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-one (4S)-1-(1,3-benzothiazol-2-yl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440412

  • Molport

    • MolPort-007-694-123

  • Mcule

    • MCULE-5396283132

  • SMDC CDiv Kinase

    • 140460

  • Ambinter

    • Amb16661963

  And 1 More

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	3.79	10.7	-15.24	1	5	0	60	360.442	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177255
• 21177642
  

  Analogs

  21725232

  

  21725917

  

  21725921

  

  21726122

  

  21726126

  

  Popular Name: (4R)-1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin (4R)-1-(1,3-benzothiazol-2-yl)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17440506

  • Molport

    • MolPort-007-694-170

  • Mcule

    • MCULE-9119491141

  • Ambinter

    • Amb16661916

  • Mcule Make-on-demand

    • MCULE-9119491141

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.62	11.57	-13.07	1	5	0	60	388.496	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21177642