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

ZINC39763205

• 39763205

Physical Representations

Activity (Go SEA)

• 687363
  

  Analogs

  687364

  

  1111423

  

  1111424

  

  39745438

  

  39745440

  

  Popular Name: N-{1-[4-ethyl-5-({2-[3-(methylthio)anilino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide N-{1-[4-ethyl-5-({2-[3-(methylth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-698/42116134

  • Vitas-M

    • STK139936

  • eMolecules

    • 8267403

  • Molport

    • MolPort-002-831-347

  • Mcule

    • MCULE-3139412257

  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)	3.65	-1.15	-14.09	0	2	0	88	469.636	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00687363
• 687364
  

  Analogs

  1111423

  

  1111424

  

  39745438

  

  39745440

  

  39745442

  

  Popular Name: N-{1-[4-ethyl-5-({2-[3-(methylthio)anilino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide N-{1-[4-ethyl-5-({2-[3-(methylth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-698/42116134

  • Vitas-M

    • STK139936

  • eMolecules

    • 8267403

  • Molport

    • MolPort-002-831-347

  • Mcule

    • MCULE-3139412257

  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)	3.65	-1.17	-14.08	0	2	0	88	469.636	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00687364
• 1111423
  

  Analogs

  39745438

  

  39745440

  

  39745442

  

  39745444

  

  39750678

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-4-methy N-[(1R)-1-[4-ethyl-5-[[2-keto-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2463382

  • Molport

    • MolPort-002-260-403

  • ChemBridge

    • 7660720

  • Mcule

    • MCULE-2915209408

  • Princeton BioMolecular Research

    • OSSL_334205

  And 7 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)	3.67	11.32	-16.44	2	7	0	89	469.636	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01111423
• 1111424
  

  Analogs

  39745438

  

  39745440

  

  39745442

  

  39745444

  

  39750678

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-4-methy N-[(1S)-1-[4-ethyl-5-[[2-keto-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2463382

  • Molport

    • MolPort-002-260-403

  • ChemBridge

    • 7660720

  • Mcule

    • MCULE-2915209408

  • Princeton BioMolecular Research

    • OSSL_334205

  And 7 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)	3.67	11.32	-13.95	2	7	0	89	469.636	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01111424
• 16448914
  

  Analogs

  16448917

  

  39763205

  

  39763206

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethy N-[(1R)-1-[4-ethyl-5-[2-[(3-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2521695

  • Molport

    • MolPort-002-299-168

  • ChemBridge

    • 7985944

  • Mcule

    • MCULE-7994971206

  • ChemDB

    • 7537862

  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)	3.39	10.7	-13.41	2	7	0	89	473.599	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16448914
• 16448917
  

  Analogs

  39763205

  

  39763206

  

  16448914

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethy N-[(1S)-1-[4-ethyl-5-[2-[(3-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2521695

  • Molport

    • MolPort-002-299-168

  • ChemBridge

    • 7985944

  • Mcule

    • MCULE-7994971206

  • ChemDB

    • 7537862

  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)	3.39	10.71	-13.49	2	7	0	89	473.599	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16448917