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VX-222

CAT: 1410-M10130-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent and selective, nonnucleoside inhibitor of HCV NS5B polymerase inhibitor with Kd of 17 nM.
CAS Number
1026785-59-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
445.6147
Molecular Formula
C25H35NO4S
Notes
Research use only, not for human use.
Receptor
HCVNS5B1a|HCVNS5B1b

Chemical Information

VX-222

5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid is a thiophenecarboxylic acid.

CAS Number1026785-59-0
PubChem CID24798764
IUPAC Name5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
Molecular FormulaC25H35NO4S
Molecular Weight445.6
XLogP5.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity717
SMILES
CC1CCC(CC1)C(=O)N(C2CCC(CC2)O)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O
InChI
InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)
InChIKey
WPMJNLCLKAKMLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VX-222
CAS: 1026785-59-0
CID: 24798764
Formula: C25H35NO4S
MW: 445.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.6
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass445.22867977
Monoisotopic Mass445.22867977
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity717
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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Alternative Products

CatalogName
MBS3600130-01VX-222
MBS132220-01VX 222
C16340-50mgLomibuvir (VX-222)
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