M331-0606 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[(3-methylphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}propanamide

M331-0606 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[(3-methylphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}propanamide
M331-0606 Screening compound: N-{3-methyl-5-[(1E)-2-(5-{[(3-methylphenyl)methyl]sulfamoyl}thiophen-2-yl)ethenyl]-1,2-oxazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M331-0606
N-{3-methyl-5-[(1E)-2-(5-{[(3-methylphenyl)methyl]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

M331-0606

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc1c(/C=C/c(s2)ccc2S(NCc2cc(C)ccc2)(=O)=O)onc1C)=O

InChI

InChI=1S/C21H23N3O4S2/c1-4-19(25)23-21-15(3)24-28-18(21)10-8-17-9-11-20(29-17)30(26,27)22-13-16-7-5-6-14(2)12-16/h5-12,22H,4,13H2,1-3H3,(H,23,25)

InChI Key

NYQMAZNNTSSFTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27536573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.81

Polar Surface Area

86.284

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M331-0606 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with M331-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M331-0606?
Check Price and Availability of M331-0606, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M331-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M331-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M331-0606
  • 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 M331-0606 available by request