NCC-149 50mg

CAT: 0628-A24063-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A24063-50Size:50 mg

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CAS Number

1316652-41-1

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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Alternative Products

Catalog	Name
BA4146-10	NCC-149
ARC0558	NCC-IT
MBS805073-01	NCC Antibody, Anti-NCC Antibody
GTR18080347	NCC Antibody
HY-159570	XD2-149
T200874-01	AV22-149
T39368-01	GNE-149
T34889-01	TL13-149
T35087-01	VVZ-149
GTR19249122-01	EGFR-IN-149

NCC-149 50mg

Chemical Information

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