M596-0505 Screening compound: 4-fluoro-3-methyl-N-{[2-(4-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide

M596-0505 Screening compound: 4-fluoro-3-methyl-N-{[2-(4-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide
M596-0505 Screening compound: 4-fluoro-3-methyl-N-{[2-(4-methylphenyl)pyridin-3-yl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M596-0505
4-fluoro-3-methyl-N-{[2-(4-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

M596-0505

Molecular Formula

C20H19FN2O2S (C20 H19 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1c(CNS(c(cc2)cc(C)c2F)(=O)=O)cccn1

InChI

InChI=1S/C20H19FN2O2S/c1-14-5-7-16(8-6-14)20-17(4-3-11-22-20)13-23-26(24,25)18-9-10-19(21)15(2)12-18/h3-12,23H,13H2,1-2H3

InChI Key

QQNYOLPABACIJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.23

Polar Surface Area

51.543

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M596-0505 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M596-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M596-0505?
Check Price and Availability of M596-0505, 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 M596-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M596-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M596-0505
  • 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 M596-0505 available by request