User Information

• Synonyms (0)
• Vendors (1)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC33809426

• 33809426

Physical Representations

Activity (Go SEA)

• 31946230
  

  Analogs

  31946232

  

  33809259

  

  33809369

  

  33809405

  

  33809406

  

  Popular Name: 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one 7-methoxy-3-(piperazine-1-carbon…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39161890

  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)	0.24	5.22	-69.91	2	6	1	76	289.311	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.24	3.85	-23.33	1	6	0	72	288.303	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31946230
• 4512968
  

  Analogs

  31946172

  

  33809259

  

  33809368

  

  33809369

  

  33809405

  

  Popular Name: N-benzyl-7-methoxy-2-oxo-chromene-3-carboxamide N-benzyl-7-methoxy-2-oxo-chromen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL376970

  • eMolecules

    • 1549308

  • Asinex

    • BAS13252056

  • Innovapharm Make-on-Demand

    • VT-00077532

  • ChEMBL12

    • CHEMBL1545409

  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)	2.57	7.39	-11.96	1	5	0	69	309.321	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04512968
• 528645
  

  Analogs

  33809259

  

  33809368

  

  33809369

  

  33809405

  

  33809406

  

  Popular Name: 2-keto-7-methoxy-N-methyl-chromene-3-carboxamide 2-keto-7-methoxy-N-methyl-chrome…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL376497

  • eMolecules

    • 1797014

  • ChemBridge

    • 7935030

  • Mcule

    • MCULE-8524008495

  • Innovapharm Make-on-Demand

    • VT-00077526

  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)	1.17	3.51	-11.34	1	5	0	69	233.223	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00528645
• 147903
  

  Analogs

  33809259

  

  33809369

  

  33809405

  

  33809406

  

  33809409

  

  Popular Name: 7-hydroxy-N-isopropyl-2-oxo-2H-chromene-3-carboxamide 7-hydroxy-N-isopropyl-2-oxo-2H-c…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00228483

  • Innovapharm Building Blocks

    • BBS-00008181

  • Mcule

    • MCULE-9405288463

  • Molport BB

    • MolPort-000-669-664

  • Otava

    • 7014211642

  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)	1.31	3.96	-24.82	2	5	0	80	247.25	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00147903