M331-0462 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(4-methylcyclohexyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}propanamide

M331-0462 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(4-methylcyclohexyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}propanamide
M331-0462 Screening compound: N-{3-methyl-5-[(1E)-2-{5-[(4-methylcyclohexyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0462
N-{3-methyl-5-[(1E)-2-{5-[(4-methylcyclohexyl)sulfamoyl]thiophen-2-yl}ethenyl]-1,2-oxazol-4-yl}propanamide

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

M331-0462

Molecular Formula

C20H27N3O4S2 (C20 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1c(/C=C/c(s2)ccc2S(NC2CCC(C)CC2)(=O)=O)onc1C)=O

InChI

InChI=1S/C20H27N3O4S2/c1-4-18(24)21-20-14(3)22-27-17(20)11-9-16-10-12-19(28-16)29(25,26)23-15-7-5-13(2)6-8-15/h9-13,15,23H,4-8H2,1-3H3,(H,21,24)

InChI Key

ZWCMERNPNAZSPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.00

Polar Surface Area

86.223

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with M331-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0462?
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What is the minimum amount of M331-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0462
  • 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 M331-0462 available by request