User Information

• Synonyms (0)
• Vendors (8)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC13959683

• 13959683

Physical Representations

Activity (Go SEA)

• 36611966
  

  Analogs

  13959695

  

  Popular Name: (2E,5R)-5-(2-chlorophenyl)-2-[(1-ethylpyrazol-3-yl)methylene]-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3, (2E,5R)-5-(2-chlorophenyl)-2-[(1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 8865905

  • Mcule

    • MCULE-3134349953

  • Princeton BioMolecular Research

    • OSSL_590700

  • TimTec

    • ST45102192

  • Zelinsky Institute

    • UZI/1849874

  And 4 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)	5.89	13.29	-17.9	1	7	0	81	504.015	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36611966
• 36611967
  

  Analogs

  13959695

  

  Popular Name: (2E,5S)-5-(2-chlorophenyl)-2-[(1-ethylpyrazol-3-yl)methylene]-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3, (2E,5S)-5-(2-chlorophenyl)-2-[(1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 8865905

  • Mcule

    • MCULE-3134349953

  • Princeton BioMolecular Research

    • OSSL_590700

  • TimTec

    • ST45102192

  • Zelinsky Institute

    • UZI/1849874

  And 4 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)	5.89	13.3	-19.05	1	7	0	81	504.015	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36611967
• 2787098
  

  Analogs

  13959682

  

  13959683

  

  Popular Name: 8-[(1-ethylpyrazol-3-yl)methylene]-2-(4-hydroxy-3-methoxy-phenyl)-4-methyl-9-oxo-N-phenyl-7-thia-1,5 8-[(1-ethylpyrazol-3-yl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-3961506014

  • ChemDB

    • 7163061

  • PubChem

    • 4774409

  • Mcule Make-on-demand

    • MCULE-3961506014

  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)	4.60	-1.59	-17.15	2	9	0	110	515.595	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02787098
• 2787100
  

  Analogs

  13959682

  

  13959683

  

  Popular Name: 8-[(1-ethylpyrazol-3-yl)methylene]-2-(4-hydroxy-3-methoxy-phenyl)-4-methyl-9-oxo-N-phenyl-7-thia-1,5 8-[(1-ethylpyrazol-3-yl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-3961506014

  • ChemDB

    • 7163061

  • PubChem

    • 4774409

  • Mcule Make-on-demand

    • MCULE-3961506014

  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)	4.60	-1.9	-17.85	2	9	0	110	515.595	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02787100
• 2787738
  

  Analogs

  13959682

  

  13959683

  

  13959695

  

  13959696

  

  13959730

  

  Popular Name: 8-[(2-ethylpyrazol-3-yl)methylene]-2-(4-hydroxy-3-methoxy-phenyl)-4-methyl-9-oxo-N-phenyl-7-thia-1,5 8-[(2-ethylpyrazol-3-yl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL401929

  • eMolecules

    • 27337176

  • Mcule

    • MCULE-4709812145

  • Princeton BioMolecular Research

    • OSSL_576449

  • TimTec

    • ST45075308

  And 6 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)	4.60	-1.85	-19.14	2	9	0	110	515.595	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02787738
• 2787740
  

  Analogs

  13959682

  

  13959683

  

  13959695

  

  13959696

  

  13959730

  

  Popular Name: 8-[(2-ethylpyrazol-3-yl)methylene]-2-(4-hydroxy-3-methoxy-phenyl)-4-methyl-9-oxo-N-phenyl-7-thia-1,5 8-[(2-ethylpyrazol-3-yl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL401929

  • eMolecules

    • 27337176

  • Mcule

    • MCULE-4709812145

  • Princeton BioMolecular Research

    • OSSL_576449

  • TimTec

    • ST45075308

  And 6 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)	4.60	-1.59	-16.84	2	9	0	110	515.595	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02787740