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AB-423

CAT: 0931-TQ0017-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0017-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1572510-80-5
Target
HBV
Related Pathways
Microbiology/Virology
Purity
0.9994
Bioactivity
AB-423 is an inhibitor of HBV capsid assembly and effectively inhibits HBV replication (EC50/EC90: 0.08-0.27 μM/0.33-1.32 μM in cells) .
Smiles
CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1
Molecular Formula
C17H17F3N2O3S
Molecular Weight
386.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-5-(N-(sec-butyl)sulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CAS Number1572510-80-5
PubChem CID90259477
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.4
XLogP3.4
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity584
SMILES
CC[C@@H](C)NS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C17H17F3N2O3S/c1-3-10(2)22-26(24,25)12-5-7-14(18)13(9-12)17(23)21-11-4-6-15(19)16(20)8-11/h4-10,22H,3H2,1-2H3,(H,21,23)/t10-/m1/s1
InChIKey
BBLXLHYPDOMJMO-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-5-(N-(sec-butyl)sulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CAS: 1572510-80-5
CID: 90259477
Formula: C17H17F3N2O3S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass386.09119807
Monoisotopic Mass386.09119807
Topological Polar Surface Area83.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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