M331-0816 Screening compound: N-{5-[(1E)-2-{5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0816 Screening compound: N-{5-[(1E)-2-{5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0816 Screening compound: N-{5-[(1E)-2-{5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0816
N-{5-[(1E)-2-{5-[(2-chloro-4-fluorophenyl)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

M331-0816

Molecular Formula

C20H17ClFN3O4S2 (C20 H17 ClFN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(Nc(ccc(F)c2)c2Cl)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C20H17ClFN3O4S2/c1-11-19(23-20(26)12-2-3-12)17(29-24-11)8-5-14-6-9-18(30-14)31(27,28)25-16-7-4-13(22)10-15(16)21/h4-10,12,25H,2-3H2,1H3,(H,23,26)

InChI Key

GCOVPYISKAWUMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.96

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

4.353

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-4.41

Polar Surface Area

84.943

Acid Dissociation Constant (pKa)

5.93

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 M331-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0816?
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What is the minimum amount of M331-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0816
  • 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 M331-0816 available by request