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CRA-19156

CAT: 0931-T27081-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27081-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
579511-43-6
Target
Others
Related Pathways
Others
Bioactivity
CRA-19156 is a potent HDAC8 inhibitor.
Smiles
N(C(=O)C1=CC=C(C)C=C1)C=2C=C(C=C(C(N(C)C)=O)C2)C3=CC=C(C(NO)=O)C=C3
Molecular Formula
C24H23N3O4
Molecular Weight
417.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(4-Methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide
CAS Number579511-43-6
PubChem CID5287979
IUPAC Name3-[4-(hydroxycarbamoyl)phenyl]-N,N-dimethyl-5-[(4-methylbenzoyl)amino]benzamide
Molecular FormulaC24H23N3O4
Molecular Weight417.5
XLogP3
Topological Polar Surface Area98.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity637
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)N(C)C)C3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)
InChIKey
DOPFUKKMSDUVTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methyl-benzoylamino)-biphenyl-3,4'-dicarboxylic acid 3-dimethylamide-4'-hydroxyamide
CAS: 579511-43-6
CID: 5287979
Formula: C24H23N3O4
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass417.16885622
Monoisotopic Mass417.16885622
Topological Polar Surface Area98.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity637
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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