M331-0392 Screening compound: N-{5-[(1E)-2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide

M331-0392 Screening compound: N-{5-[(1E)-2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide
M331-0392 Screening compound: N-{5-[(1E)-2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0392
N-{5-[(1E)-2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-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

M331-0392

Molecular Formula

C21H21N3O6S2 (C21 H21 N3 O6 S2)

Compound Name

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

IUPAC name

N-{5-[(1E)-2-(5-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-3-methyl-12-oxazol-4-yl}propanamide

SMILES

CCC(Nc1c(/C=C/c(s2)ccc2S(NCc(cc2)cc3c2OCO3)(=O)=O)onc1C)=O

InChI

InChI=1S/C21H21N3O6S2/c1-3-19(25)23-21-13(2)24-30-17(21)8-5-15-6-9-20(31-15)32(26,27)22-11-14-4-7-16-18(10-14)29-12-28-16/h4-10,22H,3,11-12H2,1-2H3,(H,23,25)

InChI Key

MDZJYNCRVVWGGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.32

Polar Surface Area

103.400

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with M331-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0392?
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What is the minimum amount of M331-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0392
  • 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 M331-0392 available by request