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RGFP966

CAT: 0127-BUP12757-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12757-01Size:5 mg
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CAS Number
1357389-11-7
Synonyms
RGFP 966
Purity
=98%
Smiles
Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1

Chemical Information

Rgfp966

RGFP966 is a member of the class of pyrazoles that is 1H-pyrazole substituted by (1E)-1-phenylprop-1-en-3-yl and (1E)-3-(2-amino-4-fluoroanilino)-3-oxoprop-1-en-1-yl groups at positions 1 and 4, respectively. It is a histone deacetylase 3 inhibitor. It has a role as an antidepressant, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent and an anti-inflammatory agent. It is a member of pyrazoles, a substituted aniline, an enamide, an aromatic amide and a member of monofluorobenzenes.

CAS Number1357389-11-7
PubChem CID56650312
IUPAC Name(E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
Molecular FormulaC21H19FN4O
Molecular Weight362.4
XLogP3.2
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity532
SMILES
C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=C(C=C(C=C3)F)N
InChI
InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
InChIKey
BLVQHYHDYFTPDV-VCABWLAWSA-N
Chemical Structure
2D Structure
2D structure of Rgfp966
CAS: 1357389-11-7
CID: 56650312
Formula: C21H19FN4O
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass362.15428940
Monoisotopic Mass362.15428940
Topological Polar Surface Area72.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C12535-10mM/1mLRGFP966

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