M026-0394 Screening compound: N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-1,2-oxazol-4-yl}propanamide

M026-0394 Screening compound: N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-1,2-oxazol-4-yl}propanamide
M026-0394 Screening compound: N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-1,2-oxazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M026-0394
N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-1,2-oxazol-4-yl}propanamide

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

M026-0394

Molecular Formula

C21H22N4O6S2 (C21 H22 N4 O6 S2)

Compound Name

N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-1,2-oxazol-4-yl}propanamide

IUPAC name

N-{3-methyl-5-[(1Z)-2-{4-[(4-sulfamoylphenyl)sulfamoyl]phenyl}ethenyl]-12-oxazol-4-yl}propanamide

SMILES

CCC(Nc1c(/C=C\c(cc2)ccc2S(Nc(cc2)ccc2S(N)(=O)=O)(=O)=O)onc1C)=O

InChI

InChI=1S/C21H22N4O6S2/c1-3-20(26)23-21-14(2)24-31-19(21)13-6-15-4-9-18(10-5-15)33(29,30)25-16-7-11-17(12-8-16)32(22,27)28/h4-13,25H,3H2,1-2H3,(H,23,26)(H2,22,27,28)

InChI Key

DOPYGBITPJEEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

0.571

Water Solubility, LogSw

-2.55

Polar Surface Area

134.760

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M026-0394 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M026-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M026-0394?
Check Price and Availability of M026-0394, 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 M026-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M026-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M026-0394
  • 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 M026-0394 available by request