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ABI-274

CAT: 0931-T71974-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71974-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1253697-93-6
Target
Others
Related Pathways
Others
Bioactivity
ABI-274 is a novel potent colchicine binding site inhibitor (CBSI) and tubulin inhibitor.
Smiles
COc1cc(cc(OC)c1OC)C(=O)c1cnc([nH]1)-c1ccc(C)cc1
Molecular Formula
C20H20N2O4
Molecular Weight
352.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CAS Number1253697-93-6
PubChem CID49787837
IUPAC Name[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular FormulaC20H20N2O4
Molecular Weight352.4
XLogP3.7
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CC1=CC=C(C=C1)C2=NC=C(N2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H20N2O4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3/h5-11H,1-4H3,(H,21,22)
InChIKey
NQHVDNDKHQBFKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-p-tolyl-1H-imidazol-5-yl)(3,4,5-trimethoxyphenyl)methanone
CAS: 1253697-93-6
CID: 49787837
Formula: C20H20N2O4
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass352.14230712
Monoisotopic Mass352.14230712
Topological Polar Surface Area73.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
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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