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VX 759

CAT: 0013-GTR19196161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196161-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VX-759 is a small molecule inhibitor targeting the HCV NS5B polymerase, a key enzyme for viral replication. It is a research tool used in antiviral studies, with applications in both in vitro enzymatic assays and in vivo models of hepatitis C infection.
CAS Number
478025-29-5
Smiles
N (C (=O) [C@@H]1CC[C@@H] (C) CC1) (C (C) C) C2=C (C (O) =O) SC (=C2) C3=CC=CC=C3
Molecular Formula
C22H27NO3S
Molecular Weight
385.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
CAS Number478025-29-5
PubChem CID503536
IUPAC Name3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid
Molecular FormulaC22H27NO3S
Molecular Weight385.5
XLogP5.6
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity524
SMILES
CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C
InChI
InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)
InChIKey
RZXQBIKGWSLVEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
CAS: 478025-29-5
CID: 503536
Formula: C22H27NO3S
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass385.17116490
Monoisotopic Mass385.17116490
Topological Polar Surface Area85.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity524
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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