M375-0131 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole

M375-0131 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole
M375-0131 Screening compound: 3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M375-0131
3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole

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

M375-0131

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazole

IUPAC name

3-[2-(benzenesulfonyl)ethyl]-5-[1-(4-methoxyphenyl)cyclopropyl]-124-oxadiazole

SMILES

COc1ccc(C2(CC2)c2nc(CCS(c3ccccc3)(=O)=O)no2)cc1

InChI

InChI=1S/C20H20N2O4S/c1-25-16-9-7-15(8-10-16)20(12-13-20)19-21-18(22-26-19)11-14-27(23,24)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3

InChI Key

KCXJYOKHBVYJFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.36

Polar Surface Area

69.466

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M375-0131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M375-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M375-0131?
Check Price and Availability of M375-0131, 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 M375-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M375-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M375-0131
  • 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 M375-0131 available by request