M952-0959 Screening compound: 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

M952-0959 Screening compound: 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide
M952-0959 Screening compound: 4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M952-0959
4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

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

M952-0959

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

4-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-sulfonamide

IUPAC name

4-(5-cyclobutyl-134-oxadiazol-2-yl)-N-(4-methoxy-2-methylphenyl)-25-dimethyl-1H-pyrrole-3-sulfonamide

SMILES

Cc([nH]c(C)c1S(Nc(cc2)c(C)cc2OC)(=O)=O)c1-c1nnc(C2CCC2)o1

InChI

InChI=1S/C20H24N4O4S/c1-11-10-15(27-4)8-9-16(11)24-29(25,26)18-13(3)21-12(2)17(18)20-23-22-19(28-20)14-6-5-7-14/h8-10,14,21,24H,5-7H2,1-4H3

InChI Key

XNBJCFONEPQFPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27557367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.34

Polar Surface Area

89.289

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M952-0959 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with M952-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M952-0959?
Check Price and Availability of M952-0959, 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 M952-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M952-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M952-0959
  • 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 M952-0959 available by request