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NCC-149

CAT: 1410-M11282-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M11282-04Size:100 mg
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Description
A potent and selective HDAC8 inhibitor with IC50 of 70 nM.
CAS Number
1316652-41-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
326.374
Molecular Formula
C16H14N4O2S
Notes
Research use only, not for human use.
Receptor
HDAC

Chemical Information

N-hydroxy-3-(1-(phenylthio)methyl-1H-1,2,3-triazol-4-yl)benzamide

NCC-149 is a member of the class of triazoles that is 1H-1,2,3-triazole substituted by (phenylsulfanyl)methyl and 3-(hydroxycarbamoyl)phenyl groups at positions 1 and 4, respectively. It is a potent and selective histone deacetylase 8 inhibitor. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of benzamides, a member of benzenes, a hydroxamic acid, an aryl sulfide and a member of triazoles.

CAS Number1316652-41-1
PubChem CID135567459
IUPAC NameN-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
Molecular FormulaC16H14N4O2S
Molecular Weight326.4
XLogP2.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
C1=CC=C(C=C1)SCN2C=C(N=N2)C3=CC(=CC=C3)C(=O)NO
InChI
InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChIKey
DORPIZJGSLWDIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-hydroxy-3-(1-(phenylthio)methyl-1H-1,2,3-triazol-4-yl)benzamide
CAS: 1316652-41-1
CID: 135567459
Formula: C16H14N4O2S
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass326.08374688
Monoisotopic Mass326.08374688
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
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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