Nexturastat A

CAT: 0862-GW3505-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0862-GW3505-5mgSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1403783-31-2

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

4-((1-butyl-3-phenylureido)methyl)-N-hydroxybenzamide

inhibits HDAC6; structure in first source

CAS Number	1403783-31-2
PubChem CID	71462653
IUPAC Name	4-[[butyl(phenylcarbamoyl)amino]methyl]-N-hydroxybenzamide
Molecular Formula	C19H23N3O3
Molecular Weight	341.4
XLogP	2.6
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	416

SMILES

CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)

InChIKey

JZWXMCPARMXZQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1403783-31-2

CID: 71462653

Formula: C19H23N3O3

MW: 341.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.4
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	341.17394160
Monoisotopic Mass	341.17394160
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	416
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

Catalog	Name
B3704-5	Nexturastat A
MBS130328-01	Nexturastat-A