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BILB-1941

CAT: 0931-T26815-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T26815-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494856-61-0
Target
HCV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Purity
0.9965
Bioactivity
BILB-1941 (BILB-1941ZW) is an inhibitor of HCV NS5B polymerase and can be used in studies about HCV infection.
Smiles
CN1C(=C(C=2C1=CC(C(NC3(C(NC4=CC=C(/C=C/C(O)=O)C=C4)=O)CCC3)=O)=CC2)C5CCCC5)C6=CC=CC=N6
Molecular Formula
C34H34N4O4
Molecular Weight
562.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bilb-1941
CAS Number494856-61-0
PubChem CID56949326
IUPAC Name(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
Molecular FormulaC34H34N4O4
Molecular Weight562.7
XLogP5.5
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C(=O)NC4=CC=C(C=C4)/C=C/C(=O)O)C(=C1C5=CC=CC=N5)C6CCCC6
InChI
InChI=1S/C34H34N4O4/c1-38-28-21-24(13-16-26(28)30(23-7-2-3-8-23)31(38)27-9-4-5-20-35-27)32(41)37-34(18-6-19-34)33(42)36-25-14-10-22(11-15-25)12-17-29(39)40/h4-5,9-17,20-21,23H,2-3,6-8,18-19H2,1H3,(H,36,42)(H,37,41)(H,39,40)/b17-12+
InChIKey
JBSNALXXNTWUEC-SFQUDFHCSA-N
Chemical Structure
2D Structure
2D structure of Bilb-1941
CAS: 494856-61-0
CID: 56949326
Formula: C34H34N4O4
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass562.25800558
Monoisotopic Mass562.25800558
Topological Polar Surface Area113 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
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