BMS-707035

Description: BMS-707035 is a specific HIV-I integrase (IN) inhibitor with IC50 of 15 nM. Phase 2.

• Catalog: OFC729607743
• CAS: 729607-74-3
• Category: Fluorinated APIs
• Synonyms: HIV Integrase Inhibitor
• Purity: >98%

• IUPAC Name: 2-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
• InChI: InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)
• InChI Key: VNIWZCGZPBJWBI-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O

• Molecular Formula: C17H19FN4O5S
• Molecular Weight: 410.42
• Appearance: White to off-white solid powder

• XLogP3-AA: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 410.10601905 g/mol
• Monoisotopic Mass: 410.10601905 g/mol
• Topological Polar Surface Area: 128Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 812