M040-0456 Screening compound: 5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

M040-0456 Screening compound: 5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole
M040-0456 Screening compound: 5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0456
5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-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

M040-0456

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

5-{[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-{[4-(3-methoxyphenyl)-13-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-124-oxadiazole

SMILES

CCCOc(cc1)ccc1-c1noc(Cc2nc(-c3cc(OC)ccc3)cs2)n1

InChI

InChI=1S/C22H21N3O3S/c1-3-11-27-17-9-7-15(8-10-17)22-24-20(28-25-22)13-21-23-19(14-29-21)16-5-4-6-18(12-16)26-2/h4-10,12,14H,3,11,13H2,1-2H3

InChI Key

RXCRZQINKZOZSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.416

Distribution Coefficient, logD

6.416

Water Solubility, LogSw

-5.87

Polar Surface Area

56.501

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M040-0456 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M040-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0456?
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What is the minimum amount of M040-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0456
  • 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 M040-0456 available by request