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IMB-26

CAT: 0931-T62993-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62993-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1001426-49-8
Target
HCV Protease, Others
Related Pathways
Proteases/Proteasome, Microbiology/Virology, Others
Bioactivity
IMB-26 is an HCV inhibitor (EC50: 2.1 μM) and has shown potent anti-HCV effects.
Smiles
O(C)C1=C(OC)C=C(NC(=O)C2=CC(NC(C(Br)C)=O)=C(OC)C=C2)C=C1OC
Molecular Formula
C20H23BrN2O6
Molecular Weight
467.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2-bromopropanoylamino)-4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CAS Number1001426-49-8
PubChem CID44443208
IUPAC Name3-(2-bromopropanoylamino)-4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
Molecular FormulaC20H23BrN2O6
Molecular Weight467.3
XLogP3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity537
SMILES
CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC)OC)Br
InChI
InChI=1S/C20H23BrN2O6/c1-11(21)19(24)23-14-8-12(6-7-15(14)26-2)20(25)22-13-9-16(27-3)18(29-5)17(10-13)28-4/h6-11H,1-5H3,(H,22,25)(H,23,24)
InChIKey
FMSAPLQSZMFMOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-bromopropanoylamino)-4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CAS: 1001426-49-8
CID: 44443208
Formula: C20H23BrN2O6
MW: 467.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass466.07395
Monoisotopic Mass466.07395
Topological Polar Surface Area95.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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