M331-0696 Screening compound: N-{5-[(1E)-2-(5-{[(furan-2-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0696 Screening compound: N-{5-[(1E)-2-(5-{[(furan-2-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0696 Screening compound: N-{5-[(1E)-2-(5-{[(furan-2-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0696
N-{5-[(1E)-2-(5-{[(furan-2-yl)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

M331-0696

Molecular Formula

C19H19N3O5S2 (C19 H19 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(NCc2ccco2)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C19H19N3O5S2/c1-12-18(21-19(23)13-4-5-13)16(27-22-12)8-6-15-7-9-17(28-15)29(24,25)20-11-14-3-2-10-26-14/h2-3,6-10,13,20H,4-5,11H2,1H3,(H,21,23)

InChI Key

QUJRGENWPJJPQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.33

Polar Surface Area

94.498

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M331-0696 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with M331-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0696?
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What is the minimum amount of M331-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0696
  • 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 M331-0696 available by request