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Antiviral agent 34

CAT: 0931-T77632-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T77632-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
945152-88-5
Target
Antiviral, DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Immunology/Inflammation
Purity
0.9951
Bioactivity
Antiviral agent 34 is an orally available, potent antiviral compound that inhibits influenza A and B viruses.Antiviral agent 34 inhibits the proliferation of influenza viruses by modulating RNA polymerase.Antiviral agent 34 is used in the study of viral infections.
Smiles
O=C(NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C
Molecular Formula
C29H33N3O2S
Molecular Weight
487.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antiviral agent 34
CAS Number945152-88-5
PubChem CID17235233
IUPAC Name4-tert-butyl-N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]phenyl]benzamide
Molecular FormulaC29H33N3O2S
Molecular Weight487.7
XLogP7.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity730
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C29H33N3O2S/c1-28(2,3)21-11-7-19(8-12-21)25(33)30-23-15-17-24(18-16-23)31-27(35)32-26(34)20-9-13-22(14-10-20)29(4,5)6/h7-18H,1-6H3,(H,30,33)(H2,31,32,34,35)
InChIKey
GKGUZBBYDHKNIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antiviral agent 34
CAS: 945152-88-5
CID: 17235233
Formula: C29H33N3O2S
MW: 487.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.7
XLogP37.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass487.22934848
Monoisotopic Mass487.22934848
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity730
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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