HDAC-IN-4

CAT: 0607-BA4123-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA4123-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1252003-13-6

Form

A solid

Molecular Formula

C20H21N3O2

Molecular Weight

335.40

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

HDAC6-IN-7 (cpd7)

CAS Number	1252003-13-6
PubChem CID	91885505
IUPAC Name	N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)methyl]benzamide;hydrochloride
Molecular Formula	C20H22ClN3O2
Molecular Weight	371.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	478

SMILES

CN1CCC2=C(C1)N(C3=CC=CC=C23)CC4=CC=C(C=C4)C(=O)NO.Cl

InChI

InChI=1S/C20H21N3O2.ClH/c1-22-11-10-17-16-4-2-3-5-18(16)23(19(17)13-22)12-14-6-8-15(9-7-14)20(24)21-25;/h2-9,25H,10-13H2,1H3,(H,21,24);1H

InChIKey

YKKFIADNEAJSEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252003-13-6

CID: 91885505

Formula: C20H22ClN3O2

MW: 371.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	371.1400546
Monoisotopic Mass	371.1400546
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	478
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	2
Compound Is Canonicalized	Yes

Catalog	Name
BA4148-25	HDAC-IN-40
BA4170-1	HDAC-IN-52
BA4148-5	HDAC-IN-40
BA4148-50	HDAC-IN-40
BA4148-10	HDAC-IN-40
A9906-1	HDAC Set I
K2032-100	HDAC Activity Colorimetric Assay Kit
K2031-96	HDAC Activity Fluorometric Assay Kit
K2032-96	HDAC Activity Colorimetric Assay Kit
K2031-100	HDAC Activity Fluorometric Assay Kit