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GW843682X 25mg

CAT: 0628-A11438-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11438-25Size:25 mg
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CAS Number
660868-91-7

Chemical Information

GW843682X

GW843682X is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 5-carbamoyl-4-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl, methoxy, and methoxy groups at positions 1, 5, and 6, respectively. It is a potent inhibitor of PLK1 and PLK3 (IC50 = 2.2 and 9.1 nM respectively). It has a role as an EC 2.7.11.21 (polo kinase) inhibitor, an antineoplastic agent and an apoptosis inducer. It is a primary carboxamide, a member of benzimidazoles, a member of thiophenes, an aromatic ether and a member of (trifluoromethyl)benzenes.

CAS Number660868-91-7
PubChem CID9826308
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
Molecular FormulaC22H18F3N3O4S
Molecular Weight477.5
XLogP4.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity688
SMILES
COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC
InChI
InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)
InChIKey
JSKUWFIZUALZLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW843682X
CAS: 660868-91-7
CID: 9826308
Formula: C22H18F3N3O4S
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass477.09701172
Monoisotopic Mass477.09701172
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity688
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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