M331-0669 Screening compound: N-{5-[(1E)-2-(5-{[(4-chlorophenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0669 Screening compound: N-{5-[(1E)-2-(5-{[(4-chlorophenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0669 Screening compound: N-{5-[(1E)-2-(5-{[(4-chlorophenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0669
N-{5-[(1E)-2-(5-{[(4-chlorophenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-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

M331-0669

Molecular Formula

C21H20ClN3O4S2 (C21 H20 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(NCc(cc2)ccc2Cl)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C21H20ClN3O4S2/c1-13-20(24-21(26)15-4-5-15)18(29-25-13)10-8-17-9-11-19(30-17)31(27,28)23-12-14-2-6-16(22)7-3-14/h2-3,6-11,15,23H,4-5,12H2,1H3,(H,24,26)

InChI Key

SSBMIGWMQKYTFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.99

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

4.061

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.36

Polar Surface Area

86.749

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M331-0669 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 M331-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0669?
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What is the minimum amount of M331-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0669
  • 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 M331-0669 available by request