User Information

• Synonyms (0)
• Vendors (5)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC30986636

• 30986636

Physical Representations

Activity (Go SEA)

• 22899681
  

  Analogs

  30986596

  

  30986636

  

  Popular Name: 4-[2-[(4-fluorobenzothiophene-2-carbonyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide 4-[2-[(4-fluorobenzothiophene-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-7937800084

  • PubChem

    • 30710614

  • Ambinter

    • Amb7883705

  • Mcule Make-on-demand

    • MCULE-7937800084

  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)	2.78	4.51	-26.28	4	6	0	101	386.433	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.85	3.41	-66.41	3	6	-1	107	385.425	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22899681
• 12515579
  

  Analogs

  25513719

  

  26364071

  

  30986636

  

  Popular Name: 4-fluoro-3-(methoxymethyl)-N-[4-(3-pyridyl)thiazol-2-yl]benzothiophene-2-carboxamide 4-fluoro-3-(methoxymethyl)-N-[4-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 15276682

  • Molport

    • MolPort-005-617-650

  • Enamine

    • Z90851650

  • Mcule

    • MCULE-2372197039

  • PubChem

    • 17488432

  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)	3.69	7.89	-12.78	1	5	0	64	399.472	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.69	8.18	-43.35	2	5	1	65	400.48	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12515579
• 12560744
  

  Analogs

  30986636

  

  Popular Name: 4-fluoro-N-[4-(4-methanesulfonamidophenyl)thiazol-2-yl]-3-(methoxymethyl)benzothiophene-2-carboxamid 4-fluoro-N-[4-(4-methanesulfonam…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16659501

  • Molport

    • MolPort-004-522-773

  • Enamine

    • Z200657848

  • Mcule

    • MCULE-3265687401

  • PubChem

    • 24568464

  And 3 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)	3.99	6.39	-18.4	2	7	0	97	491.591	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.99	6.49	-45.63	1	7	-1	99	490.583	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12560744