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FRAX597 5mg

CAT: 0628-A12553-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12553-5Size:5 mg
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CAS Number
1286739-19-2

Chemical Information

Frax597

FRAX597 is a small molecule drug that inhibits the p21-activated kinases (PAKs).

CAS Number1286739-19-2
PubChem CID70934541
IUPAC Name6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC29H28ClN7OS
Molecular Weight558.1
XLogP5.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity878
SMILES
CCN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=C(C=C3)C4=CN=CS4)Cl)NC5=CC=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
InChIKey
DHUJCQOUWQMVCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Frax597
CAS: 1286739-19-2
CID: 70934541
Formula: C29H28ClN7OS
MW: 558.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.1
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass557.1764574
Monoisotopic Mass557.1764574
Topological Polar Surface Area106 Ų
Heavy Atom Count39
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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