M331-0666 Screening compound: N-{5-[(1E)-2-{5-[(3-chlorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0666 Screening compound: N-{5-[(1E)-2-{5-[(3-chlorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0666 Screening compound: N-{5-[(1E)-2-{5-[(3-chlorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0666
N-{5-[(1E)-2-{5-[(3-chlorophenyl)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

M331-0666

Molecular Formula

C20H18ClN3O4S2 (C20 H18 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(Nc2cccc(Cl)c2)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C20H18ClN3O4S2/c1-12-19(22-20(25)13-5-6-13)17(28-23-12)9-7-16-8-10-18(29-16)30(26,27)24-15-4-2-3-14(21)11-15/h2-4,7-11,13,24H,5-6H2,1H3,(H,22,25)

InChI Key

TXCLXKATBHPPFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.45

Polar Surface Area

85.641

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with M331-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0666?
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What is the minimum amount of M331-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0666
  • 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 M331-0666 available by request