M331-0745 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(2-phenylethyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0745 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(2-phenylethyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0745 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(2-phenylethyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0745
N-{3-methyl-5-[(1E)-2-{5-[(2-phenylethyl)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

M331-0745

Molecular Formula

C22H23N3O4S2 (C22 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(NCCc2ccccc2)(=O)=O)c1NC(C1CC1)=O

InChI

InChI=1S/C22H23N3O4S2/c1-15-21(24-22(26)17-7-8-17)19(29-25-15)11-9-18-10-12-20(30-18)31(27,28)23-14-13-16-5-3-2-4-6-16/h2-6,9-12,17,23H,7-8,13-14H2,1H3,(H,24,26)

InChI Key

AOUYQLFHQFZQMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.96

Polar Surface Area

86.591

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M331-0745 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M331-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0745?
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What is the minimum amount of M331-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0745
  • 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 M331-0745 available by request