M596-0404 Screening compound: 4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

M596-0404 Screening compound: 4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide
M596-0404 Screening compound: 4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0404
4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M596-0404

Molecular Formula

C20H17N3O2S (C20 H17 N3 O2 S)

Compound Name

4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

IUPAC name

4-cyano-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

SMILES

Cc1cccc(-c2c(CNS(c(cc3)ccc3C#N)(=O)=O)cccn2)c1

InChI

InChI=1S/C20H17N3O2S/c1-15-4-2-5-17(12-15)20-18(6-3-11-22-20)14-23-26(24,25)19-9-7-16(13-21)8-10-19/h2-12,23H,14H2,1H3

InChI Key

SUKXFHPJPCVLJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.675

Water Solubility, LogSw

-3.89

Polar Surface Area

68.600

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M596-0404 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with M596-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0404?
Check Price and Availability of M596-0404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M596-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0404
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M596-0404 available by request