BRAF inhibitor 1mg

CAT: 0628-A11333-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A11333-1Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

918505-61-0

Chemical Information

Plx4032

BRAF Inhibitor is any agent that inhibits the serine/threonine-protein kinase BRAF(B-RAF).

CAS Number	918505-61-0
PubChem CID	53438230
IUPAC Name	N-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-2-sulfonamide
Molecular Formula	C22H18F2N4O3S
Molecular Weight	456.5
XLogP	3.2
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	778

SMILES

CC(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=CC=C4)F

InChI

InChI=1S/C22H18F2N4O3S/c1-12(2)32(30,31)28-18-6-5-17(23)19(20(18)24)21(29)16-11-27-22-15(16)8-14(10-26-22)13-4-3-7-25-9-13/h3-12,28H,1-2H3,(H,26,27)

InChIKey

SUNCACOTKLUNHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918505-61-0

CID: 53438230

Formula: C22H18F2N4O3S

MW: 456.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	456.10676795
Monoisotopic Mass	456.10676795
Topological Polar Surface Area	113 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	778
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes