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MK-8876

CAT: 0013-GTR19197045-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197045-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-8876 is a small molecule inhibitor that selectively targets the Site D allosteric pocket of the Hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase. It serves as a valuable research tool for investigating viral replication mechanisms in vitro and has been utilized in preclinical studies to explore antiviral strategies.
CAS Number
1426960-33-9
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (NC) (=O) C=1C=2C (OC1C3=CC=C (F) C=C3) =CC (N (S (C) (=O) =O) C) =C (C2) C=4N=C5C=6N (C=7C (C6) =C (F) C=CC7) COC5=CC4
Molecular Formula
C32H24F2N4O5S
Molecular Weight
614.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mk-8876
CAS Number1426960-33-9
PubChem CID71509114
IUPAC Name5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Molecular FormulaC32H24F2N4O5S
Molecular Weight614.6
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1170
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3=NC4=C(C=C3)OCN5C4=CC6=C5C=CC=C6F)N(C)S(=O)(=O)C)C7=CC=C(C=C7)F
InChI
InChI=1S/C32H24F2N4O5S/c1-35-32(39)29-21-13-20(25(37(2)44(3,40)41)15-28(21)43-31(29)17-7-9-18(33)10-8-17)23-11-12-27-30(36-23)26-14-19-22(34)5-4-6-24(19)38(26)16-42-27/h4-15H,16H2,1-3H3,(H,35,39)
InChIKey
GOHCXBUFLQKEIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mk-8876
CAS: 1426960-33-9
CID: 71509114
Formula: C32H24F2N4O5S
MW: 614.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass614.14354738
Monoisotopic Mass614.14354738
Topological Polar Surface Area115 Ų
Heavy Atom Count44
Formal Charge0
Complexity1170
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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