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AZD2836

CAT: 0931-T23766-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23766-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
944278-62-0
Target
Others
Related Pathways
Others
Bioactivity
AZD2836 is an inhibitor of GT-1a and GT-1b that acts by interfering with host-mediated processes essential to viral replication.
Smiles
N(C=1C2=C(C=CC(=C2)C3=CC(OC)=C(OC)C=C3)N=CN1)C4=CC=C(C=C4)N5C=NC=N5
Molecular Formula
C24H20N6O2
Molecular Weight
424.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Q2N4Ssa5SA

AZD-2836 is an inhibitor of the nonstructural protein 5A (NS5A). The drug is being investigated for treatment of hepatitis C because AZD-2836 has in vitro anti-HCV activity.

CAS Number944278-62-0
PubChem CID23726043
IUPAC Name6-(3,4-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]quinazolin-4-amine
Molecular FormulaC24H20N6O2
Molecular Weight424.5
XLogP4.7
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity589
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5C=NC=N5)OC
InChI
InChI=1S/C24H20N6O2/c1-31-22-10-4-17(12-23(22)32-2)16-3-9-21-20(11-16)24(27-14-26-21)29-18-5-7-19(8-6-18)30-15-25-13-28-30/h3-15H,1-2H3,(H,26,27,29)
InChIKey
UPPWMBQIDFTBEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Q2N4Ssa5SA
CAS: 944278-62-0
CID: 23726043
Formula: C24H20N6O2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass424.16477390
Monoisotopic Mass424.16477390
Topological Polar Surface Area87 Ų
Heavy Atom Count32
Formal Charge0
Complexity589
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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