M596-0360 Screening compound: 5-chloro-2-methoxy-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

M596-0360 Screening compound: 5-chloro-2-methoxy-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide
M596-0360 Screening compound: 5-chloro-2-methoxy-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0360
5-chloro-2-methoxy-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

M596-0360

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

5-chloro-2-methoxy-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

IUPAC name

5-chloro-2-methoxy-N-{[2-(3-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

SMILES

Cc1cccc(-c2c(CNS(c(cc(cc3)Cl)c3OC)(=O)=O)cccn2)c1

InChI

InChI=1S/C20H19ClN2O3S/c1-14-5-3-6-15(11-14)20-16(7-4-10-22-20)13-23-27(24,25)19-12-17(21)8-9-18(19)26-2/h3-12,23H,13H2,1-2H3

InChI Key

QJDBIJGFXHMSOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

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

4.275

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.52

Polar Surface Area

59.174

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M596-0360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M596-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0360?
Check Price and Availability of M596-0360, 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 M596-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0360
  • 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 M596-0360 available by request