M331-0761 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0761 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0761 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0761
N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide

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

M331-0761

Molecular Formula

C21H21N3O4S3 (C21 H21 N3 O4 S3)

Compound Name

N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide

IUPAC name

N-{3-methyl-5-[(1E)-2-(5-{[3-(methylsulfanyl)phenyl]sulfamoyl}thiophen-2-yl)ethenyl]-12-oxazol-4-yl}cyclopropanecarboxamide

SMILES

Cc1noc(/C=C/c(s2)ccc2S(Nc2cc(SC)ccc2)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C21H21N3O4S3/c1-13-20(22-21(25)14-6-7-14)18(28-23-13)10-8-16-9-11-19(30-16)31(26,27)24-15-4-3-5-17(12-15)29-2/h3-5,8-12,14,24H,6-7H2,1-2H3,(H,22,25)

InChI Key

NCIPESXUBRGBBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.28

Polar Surface Area

85.641

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M331-0761 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M331-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0761?
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What is the minimum amount of M331-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0761
  • 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 M331-0761 available by request