PLX4720

Description: PLX4720 is a potent and selective inhibitor of B-RafV600E with IC50 of 13 nM in a cell-free assay, equally potent to c-Raf-1(Y340D and Y341D mutations), 10-fold selectivity for B-RafV600E than wild-type B-Raf.

• Catalog: OFC918505847
• CAS: 918505-84-7
• Category: Fluorinated APIs
• Synonyms: N-(3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide
• Purity: >98%

• IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
• InChI: InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
• InChI Key: YZDJQTHVDDOVHR-UHFFFAOYSA-N
• Isomeric SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F

• Molecular Formula: C17H14ClF2N3O3S
• Molecular Weight: 413.82
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 413.0412465 g/mol
• Monoisotopic Mass: 413.0412465 g/mol
• Topological Polar Surface Area: 100Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 648