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HCV-IN-44

CAT: 0804-HY-155832Size: 1 EachDry Ice: NoHazardous: No
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Description
HCV-IN-44 (compound 28) is an HCV NS5B protein inhibitor that can effectively inhibit the replication of HCV virus. HCV-IN-44 can be used for the study of HCV infection[1].
CAS Number
1850311-55-5
UNSPSC
12352005
Target
HCV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hcv-in-44.html
Solubility
10 mM in DMSO
Smiles
FC1=C(N2C(NC(C=C2)=O)=O)C=C(C(OC)=C1/C=C/C3=CC=C(C=C3)NS(C)(=O)=O)C(C)(C)C
Molecular Formula
C24H26FN3O5S
Molecular Weight
487.54
References & Citations
[1]Yingjun Zhang, et al. Application as the compound of hepatitis c inhibitor and its in drug. Patent CN106065009B.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hcv-IN-44
CAS Number1850311-55-5
PubChem CID141460324
IUPAC NameN-[4-[(E)-2-[5-tert-butyl-3-(2,4-dioxopyrimidin-1-yl)-2-fluoro-6-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
Molecular FormulaC24H26FN3O5S
Molecular Weight487.5
XLogP3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity916
SMILES
CC(C)(C)C1=CC(=C(C(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)F)N3C=CC(=O)NC3=O
InChI
InChI=1S/C24H26FN3O5S/c1-24(2,3)18-14-19(28-13-12-20(29)26-23(28)30)21(25)17(22(18)33-4)11-8-15-6-9-16(10-7-15)27-34(5,31)32/h6-14,27H,1-5H3,(H,26,29,30)/b11-8+
InChIKey
NZCYILYJNUXHBZ-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Hcv-IN-44
CAS: 1850311-55-5
CID: 141460324
Formula: C24H26FN3O5S
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass487.15772027
Monoisotopic Mass487.15772027
Topological Polar Surface Area113 Ų
Heavy Atom Count34
Formal Charge0
Complexity916
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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