Basic information
- CAS
522625-85-0- Standard SMILES
COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1- InChIKey
HBZICUMXNDTDSI-UHFFFAOYSA-N- Molecular formula
- C19H18N2O5S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.09364285
Names & identifiers
- Preferred name
- Anti-Influenza agent 4
- IUPAC
- N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide
- English name
- Benzamide, N-[3-[[(2-furanylmethyl)amino]sulfonyl]phenyl]-4-methoxy-
- Molecular formula
- C19H18N2O5S
- Molecular weight
- 386.42
Names & synonyms
Anti-Influenza agent 4522625-85-0N-(3-(N-(Furan-2-ylmethyl)sulfamoyl)phenyl)-4-methoxybenzamideWAY-607987MLS002252154orb1745168orb2900578CHEMBL1716444HMS3083E17EX-A6448Benzamide, N-[3-[[(2-furanylmethyl)amino]sulfonyl]phenyl]-4-methoxy-AKOS034117079
Show more names
EBC-656294DA-50565SMR001314501TS-09603HY-148309CS-0618760G70056Z30002796
Database identifiers
- CAS
522625-85-0- PubChem CID
- 4156245
- ChEMBL
CHEMBL1716444
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Experimental & physicochemical properties
Solubility8.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.50(Predicted)
Chemistry & industry
Applications
UsesAnti-Influenza agent 4 is a potent and selective influenza virus inhibitor with EC50s of 150 nM and 62 nM for strains A/Roma and A/Parma, respectively[1].
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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