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AT-130

CAT: 1410-M13358-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M13358-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AT-130 is a potent inhibitor of HBV capsid assembly, inhibits wild-type HBV replication with IC50 of 2.4 uM.
CAS Number
211364-06-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
488.338
Molecular Formula
C22H22BrN3O5
Notes
Research use only, not for human use.
Receptor
HBV

Chemical Information

N-[(1e)-1-Bromo-1-(2-Methoxyphenyl)-3-Oxo-3-(Piperidin-1-Yl)prop-1-En-2-Yl]-4-Nitrobenzamide
CAS Number211364-06-6
PubChem CID3002812
IUPAC NameN-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
Molecular FormulaC22H22BrN3O5
Molecular Weight488.3
XLogP4
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity694
SMILES
COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br
InChI
InChI=1S/C22H22BrN3O5/c1-31-18-8-4-3-7-17(18)19(23)20(22(28)25-13-5-2-6-14-25)24-21(27)15-9-11-16(12-10-15)26(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,27)/b20-19+
InChIKey
OQIUTYABZMBBME-FMQUCBEESA-N
Chemical Structure
2D Structure
2D structure of N-[(1e)-1-Bromo-1-(2-Methoxyphenyl)-3-Oxo-3-(Piperidin-1-Yl)prop-1-En-2-Yl]-4-Nitrobenzamide
CAS: 211364-06-6
CID: 3002812
Formula: C22H22BrN3O5
MW: 488.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight488.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass487.07428
Monoisotopic Mass487.07428
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity694
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