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BVDV-IN-1

CAT: 0931-T9103-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T9103-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345651-04-9
Target
Anti-infection, DNA/RNA Synthesis
Related Pathways
Microbiology/Virology, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9893
Bioactivity
BVDV-IN-1 is a non-nucleoside inhibitor (NNI) of bovine viral diarrhea virus (BVDV) with an EC50 of 1.8 μM, directly binding to a hydrophobic pocket of the BVDV RdRp, and demonstrating antiviral activity against BVDV resistant to NNI thiosemicarbazone (TSC) .
Smiles
OCCN1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1
Molecular Formula
C20H22N4O
Molecular Weight
334.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bvdv-IN-1
CAS Number345651-04-9
PubChem CID12796039
IUPAC Name2-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]ethanol
Molecular FormulaC20H22N4O
Molecular Weight334.4
XLogP3.1
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity407
SMILES
C1CN(CCN1CCO)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O/c25-15-14-23-10-12-24(13-11-23)20-17-8-4-5-9-18(17)21-19(22-20)16-6-2-1-3-7-16/h1-9,25H,10-15H2
InChIKey
DPFKMYSBAMEGQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bvdv-IN-1
CAS: 345651-04-9
CID: 12796039
Formula: C20H22N4O
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass334.17936134
Monoisotopic Mass334.17936134
Topological Polar Surface Area52.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity407
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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