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• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC39388899

• 39388899

Physical Representations

Activity (Go SEA)

• 55195843
  

  Analogs

  39388898

  

  39388899

  

  Popular Name: 4-methyl-N-[(6R)-6-methyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]ben 4-methyl-N-[(6R)-6-methyl-3-(4-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK089750

  • eMolecules

    • 2375669

  • Molport

    • MolPort-002-171-963

  • BioBlocks

    • A2016/0084627

  • ChemBridge

    • 5845075

  And 12 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)	3.50	9.05	-10.01	1	5	0	53	411.571	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55195843
• 55195850
  

  Analogs

  39388898

  

  39388899

  

  Popular Name: 4-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]ben 4-methyl-N-[(6S)-6-methyl-3-(4-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK089750

  • eMolecules

    • 2375669

  • Molport

    • MolPort-002-171-963

  • BioBlocks

    • A2016/0084627

  • ChemBridge

    • 5845075

  And 12 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)	3.50	9.05	-9.93	1	5	0	53	411.571	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55195850
• 55480090
  

  Analogs

  39388898

  

  39388899

  

  9994932

  

  Popular Name: N-[(6R)-6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamid N-[(6R)-6-tert-butyl-3-(4-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2152480

  • Molport

    • MolPort-001-515-259

  • ChemBridge

    • 6447797

  • ChemDiv

    • 4488-1861

  • Mcule

    • MCULE-8736292460

  And 8 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)	4.38	9.79	-10.11	1	5	0	53	439.625	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55480090
• 55480096
  

  Analogs

  39388898

  

  39388899

  

  9994932

  

  Popular Name: N-[(6S)-6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamid N-[(6S)-6-tert-butyl-3-(4-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2152480

  • Molport

    • MolPort-001-515-259

  • ChemBridge

    • 6447797

  • ChemDiv

    • 4488-1861

  • Mcule

    • MCULE-8736292460

  And 8 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)	4.38	9.79	-10.04	1	5	0	53	439.625	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55480096
• 2811346
  

  Analogs

  39388898

  

  39388899

  

  Popular Name: 4-methyl-N-[(6S)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-y 4-methyl-N-[(6S)-6-methyl-3-(4-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK089750

  • Molport

    • MolPort-002-171-963

  • ChemBridge

    • 5845075

  • Chemical Block

    • A2016/0084627

  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)	3.50	-0.29	-49.21	2	5	1	53	412.579	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02811346
• 2811347
  

  Analogs

  39388898

  

  39388899

  

  Popular Name: 4-methyl-N-[(6R)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-y 4-methyl-N-[(6R)-6-methyl-3-(4-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK089750

  • Molport

    • MolPort-002-171-963

  • ChemBridge

    • 5845075

  • Chemical Block

    • A2016/0084627

  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)	3.50	-0.27	-48.93	2	5	1	53	412.579	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02811347
• 20418418
  

  Analogs

  39388898

  

  39388899

  

  9994932

  

  9994934

  

  Popular Name: N-[(6S)-3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methy N-[(6S)-3-(4-benzylpiperazine-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 7651802

  • Molport

    • MolPort-001-515-271

  • ChemDiv

    • 4473-0226

  • Mcule

    • MCULE-8434257153

  • Scientific Exchange

    • C-080922

  And 5 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)	6.18	14.07	-10.26	1	5	0	53	529.75	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20418418
• 20418419
  

  Analogs

  39388898

  

  39388899

  

  9994932

  

  9994934

  

  Popular Name: N-[(6R)-3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methy N-[(6R)-3-(4-benzylpiperazine-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 7651802

  • Molport

    • MolPort-001-515-271

  • ChemDiv

    • 4473-0226

  • Mcule

    • MCULE-8434257153

  • Scientific Exchange

    • C-080922

  And 5 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)	6.18	14.27	-10.43	1	5	0	53	529.75	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20418419
• 9994932
  

  Analogs

  9994934

  

  20418418

  

  20418419

  

  27569612

  

  27569614

  

  Popular Name: N-[3-(4-methylpiperazin-1-yl)carbonyl-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide N-[3-(4-methylpiperazin-1-yl)car…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-001-515-259

  • ChemBridge

    • 6447797

  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)	4.38	0.31	-49.3	2	5	1	53	440.633	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09994932