CAS 137643-31-3 | Methanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]- | CAS Number 137643-31-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Indoles and Oxindole > 137643-31-3

137643-31-3 | Methanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]-

CAS No: 137643-31-3 Catalog No: AG0013NM MDL No:

Product Description

Catalog Number:

AG0013NM

Chemical Name:

Methanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]-

CAS Number:

137643-31-3

Molecular Formula:

C20H21N3O

Molecular Weight:

319.4002

IUPAC Name:

(4-benzylpiperazin-1-yl)-(1H-indol-3-yl)methanone

InChI:

InChI=1S/C20H21N3O/c24-20(18-14-21-19-9-5-4-8-17(18)19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2

InChI Key:

KGJKHWBESJPEQO-UHFFFAOYSA-N

SMILES:

O=C(c1c[nH]c2c1cccc2)N1CCN(CC1)Cc1ccccc1

Properties

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.408g/mol

Monoisotopic Mass:

319.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Indole-based heterocyclic inhibitors of p38alpha MAP kinase: designing a conformationally restricted analogue.	Bioorganic & medicinal chemistry letters 20030915