M331-0700 Screening compound: N-{5-[(1E)-2-(5-{[(4-methoxyphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide

M331-0700 Screening compound: N-{5-[(1E)-2-(5-{[(4-methoxyphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide
M331-0700 Screening compound: N-{5-[(1E)-2-(5-{[(4-methoxyphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0700
N-{5-[(1E)-2-(5-{[(4-methoxyphenyl)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

M331-0700

Molecular Formula

C22H23N3O5S2 (C22 H23 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(s2)ccc2S(NCc(cc2)ccc2OC)(=O)=O)c1NC(C1CC1)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.75

Polar Surface Area

94.293

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M331-0700 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M331-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0700?
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What is the minimum amount of M331-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0700
  • 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 M331-0700 available by request