M336-0394 Screening compound: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

M336-0394 Screening compound: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)benzene-1-sulfonamide
M336-0394 Screening compound: 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M336-0394
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)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

M336-0394

Molecular Formula

C21H18N4O5S2 (C21 H18 N4 O5 S2)

Compound Name

2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

IUPAC name

2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1-c1noc(-c(cccc2)c2S(Nc(cc2)ccc2S(N)(=O)=O)(=O)=O)n1

InChI

InChI=1S/C21H18N4O5S2/c1-14-6-8-15(9-7-14)20-23-21(30-24-20)18-4-2-3-5-19(18)32(28,29)25-16-10-12-17(13-11-16)31(22,26)27/h2-13,25H,1H3,(H2,22,26,27)

InChI Key

GPTBRHVEGVQJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-3.89

Polar Surface Area

122.897

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

M336-0394 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M336-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M336-0394?
Check Price and Availability of M336-0394, 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 M336-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M336-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M336-0394
  • 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 M336-0394 available by request