User Information

• Synonyms (0)
• Vendors (11)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC28627819

• 28627819

Physical Representations

Activity (Go SEA)

• 33808987
  

  Analogs

  8892198

  

  Popular Name: (2E,5S)-2-[(4-hydroxyphenyl)methylene]-7-methyl-N-(o-tolyl)-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]py (2E,5S)-2-[(4-hydroxyphenyl)meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00093721

  • ChemDB

    • 7061501

  • PubChem

    • 5261708
    • 23428544

  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)	6.02	10.67	-20.52	2	6	0	84	487.606	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33808987
• 33808989
  

  Analogs

  8892198

  

  Popular Name: (2E,5R)-2-[(4-hydroxyphenyl)methylene]-7-methyl-N-(o-tolyl)-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]py (2E,5R)-2-[(4-hydroxyphenyl)meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00093721

  • ChemDB

    • 7061501

  • PubChem

    • 5261708
    • 23428544

  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)	6.02	10.7	-20.33	2	6	0	84	487.606	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33808989
• 8892198
  

  Analogs

  8892199

  

  12416549

  

  12416551

  

  28627819

  

  33808987

  

  Popular Name: 8-[(4-methoxyphenyl)methylene]-3-methyl-N-(o-tolyl)-7-oxo-5-(2-thienyl)-9-thia-2,6-diazabicyclo[4.3. 8-[(4-methoxyphenyl)methylene]-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK774222

  • eMolecules

    • 7700394

  • BioBlocks

    • A3364/0142841

  • ChemDiv

    • 8015-2841

  • Chemical Block

    • A3364/0142841

  And 13 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)	6.56	-0.75	-15.19	1	6	0	72	501.633	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08892198
• 8892199
  

  Analogs

  12416549

  

  12416551

  

  28627819

  

  33808987

  

  33808989

  

  Popular Name: 8-[(4-methoxyphenyl)methylene]-3-methyl-N-(o-tolyl)-7-oxo-5-(2-thienyl)-9-thia-2,6-diazabicyclo[4.3. 8-[(4-methoxyphenyl)methylene]-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK774222

  • eMolecules

    • 7700394

  • BioBlocks

    • A3364/0142841

  • ChemDiv

    • 8015-2841

  • Chemical Block

    • A3364/0142841

  And 13 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)	6.56	-0.52	-13.89	1	6	0	72	501.633	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08892199
• 12416551
  

  Analogs

  28627819

  

  33808987

  

  33808989

  

  8892198

  

  Popular Name: (5S)-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-N-phenyl-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidi (5S)-2-[(4-methoxyphenyl)methyle…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Chemical Block

    • A3364/0142842

  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)	6.16	-1.26	-15.5	1	6	0	73	487.606	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12416551
• 12416549
  

  Analogs

  12416551

  

  28627819

  

  33808987

  

  33808989

  

  8892198

  

  Popular Name: (2E,5R)-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-N-phenyl-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrim (2E,5R)-2-[(4-methoxyphenyl)meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 7671145

  • BioBlocks

    • A3364/0142842

  • ChemDiv

    • 8015-2842

  • Chemical Block

    • A3364/0142842

  • Mcule

    • MCULE-5710780056

  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)	6.16	-1.58	-16.97	1	6	0	73	487.606	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12416549