CAS 143141-23-5 | 1-(Phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine | CAS Number 143141-23-5

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143141-23-5 | 1-(Phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine

CAS No: 143141-23-5 Catalog No: AG003D43 MDL No:MFCD02083292

Product Description

Catalog Number:

AG003D43

Chemical Name:

1-(Phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine

CAS Number:

143141-23-5

Molecular Formula:

C13H10N2O2S

Molecular Weight:

258.2957

MDL Number:

MFCD02083292

IUPAC Name:

1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine

InChI:

InChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H

InChI Key:

KEPQQULYWDIKEK-UHFFFAOYSA-N

SMILES:

O=S(=O)(n1ccc2c1nccc2)c1ccccc1

Properties

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.295g/mol

Monoisotopic Mass:

258.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.	Nature chemical biology 20150301
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