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MI-192

CAT: 0607-C5851-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C5851-10Size:10 mg
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Description
inhibitor of histone deacetylases (HDACs)
CAS Number
1415340-63-4
Product Name Alternative
N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
Field of Research
DNA Damage DNA Repair HDAC
Purity
0.98
Form
A crystalline solid
Solubility
≤5mg/ml in DMSO;1mg/ml in dimethyl formamide
Smiles
O=C1N(CC2=CC=C(C(NC3=CC=CC=C3N)=O)C=C2)CC(C4=CC=CC=C41)=C
Molecular Formula
C24H21N3O2
Molecular Weight
383.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CAS Number1415340-63-4
PubChem CID56965342
IUPAC NameN-(2-aminophenyl)-4-[(4-methylidene-1-oxo-3H-isoquinolin-2-yl)methyl]benzamide
Molecular FormulaC24H21N3O2
Molecular Weight383.4
XLogP3
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
C=C1CN(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
InChIKey
GTLTXEIKQVWSRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CAS: 1415340-63-4
CID: 56965342
Formula: C24H21N3O2
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass383.16337692
Monoisotopic Mass383.16337692
Topological Polar Surface Area75.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
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