NCC-149

CAT: 0013-GTR19201723-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19201723-03Size:100 mg

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Description

NCC-149 is a potent and selective small molecule inhibitor of histone deacetylase 8 (HDAC8) . It is a valuable research tool for investigating HDAC8 function in epigenetic regulation, cancer biology, and neurodevelopmental disorders in both cellular and animal models.

CAS Number

1316652-41-1

Field of Research

Epigenetics & Chromatin, Molecular Biology

Smiles

ONC (=O) c1cccc (c1) -c1cn (CSc2ccccc2) nn1

Molecular Formula

C16H14N4O2S

Molecular Weight

326.37

Storage Conditions

-20°C

Notes

For research use only.

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 Number	1316652-41-1
PubChem CID	135567459
IUPAC Name	N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
Molecular Formula	C16H14N4O2S
Molecular Weight	326.4
XLogP	2.4
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	392

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

CAS: 1316652-41-1

CID: 135567459

Formula: C16H14N4O2S

MW: 326.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	326.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	326.08374688
Monoisotopic Mass	326.08374688
Topological Polar Surface Area	105 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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NCC-149

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