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IDX375

CAT: 0013-GTR19239814-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239814-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IDX375 is a selective non-nucleoside inhibitor of the HCV NS5B polymerase, with confirmed activity against genotypes 1a and 1b via X-ray co-crystallography. It is a valuable research tool for in vitro antiviral studies and mechanistic investigations of hepatitis C virus replication.
CAS Number
1162665-52-2
Field of Research
Metabolism Research
Smiles
O=C1C (=C (O) [C@H] (C (C) (C) C) N1CCC (C) (C) C) C2=NP (OCC) (=O) C=3C (N2) =CC=C (NS (C) (=O) =O) C3
Molecular Formula
C24H37N4O6PS
Molecular Weight
540.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[(2S)-2-tert-butyl-1-(3,3-dimethylbutyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-1-ethoxy-1-oxo-4H-2,4,1lambda5-benzodiazaphosphinin-7-yl]methanesulfonamide
CAS Number1162665-52-2
PubChem CID136074812
IUPAC NameN-[3-[(2S)-2-tert-butyl-1-(3,3-dimethylbutyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-1-ethoxy-1-oxo-4H-2,4,1lambda5-benzodiazaphosphinin-7-yl]methanesulfonamide
Molecular FormulaC24H37N4O6PS
Molecular Weight540.6
XLogP2.5
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity1080
SMILES
CCOP1(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)NC(=N1)C3=C([C@@H](N(C3=O)CCC(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35?/m1/s1
InChIKey
FKLYVKZFUGOUQH-NKMPOUKQSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[(2S)-2-tert-butyl-1-(3,3-dimethylbutyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-1-ethoxy-1-oxo-4H-2,4,1lambda5-benzodiazaphosphinin-7-yl]methanesulfonamide
CAS: 1162665-52-2
CID: 136074812
Formula: C24H37N4O6PS
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass540.21714308
Monoisotopic Mass540.21714308
Topological Polar Surface Area146 Ų
Heavy Atom Count36
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T200982-01IDX375

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