M596-0497 Screening compound: N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

M596-0497 Screening compound: N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide
M596-0497 Screening compound: N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0497
N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

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

M596-0497

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

IUPAC name

N-[4-({[2-(4-methylphenyl)pyridin-3-yl]methyl}sulfamoyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(NCc1c(-c2ccc(C)cc2)nccc1)(=O)=O)=O

InChI

InChI=1S/C21H21N3O3S/c1-15-5-7-17(8-6-15)21-18(4-3-13-22-21)14-23-28(26,27)20-11-9-19(10-12-20)24-16(2)25/h3-13,23H,14H2,1-2H3,(H,24,25)

InChI Key

JPMAQKQRQQRHGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.191

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.44

Polar Surface Area

74.805

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M596-0497 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M596-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0497?
Check Price and Availability of M596-0497, 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 M596-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0497
  • 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 M596-0497 available by request