M331-0058 Screening compound: N-{5-[(1E)-2-{5-[(3-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

M331-0058 Screening compound: N-{5-[(1E)-2-{5-[(3-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide
M331-0058 Screening compound: N-{5-[(1E)-2-{5-[(3-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0058
N-{5-[(1E)-2-{5-[(3-fluorophenyl)sulfamoyl]thiophen-2-yl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

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

M331-0058

Molecular Formula

C18H16FN3O4S2 (C18 H16 FN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1c(/C=C/c(s2)ccc2S(Nc2cc(F)ccc2)(=O)=O)onc1C)=O

InChI

InChI=1S/C18H16FN3O4S2/c1-11-18(20-12(2)23)16(26-21-11)8-6-15-7-9-17(27-15)28(24,25)22-14-5-3-4-13(19)10-14/h3-10,22H,1-2H3,(H,20,23)

InChI Key

BZNFXWRVIKGIAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.95

Polar Surface Area

85.288

Acid Dissociation Constant (pKa)

7.74

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with M331-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0058?
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What is the minimum amount of M331-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0058
  • 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 M331-0058 available by request