M040-0450 Screening compound: 5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

M040-0450 Screening compound: 5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole
M040-0450 Screening compound: 5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0450
5-{[4-(4-ethoxyphenyl)-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

M040-0450

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1-c1noc(Cc2nc(-c(cc3)ccc3OCC)cs2)n1

InChI

InChI=1S/C23H23N3O3S/c1-3-13-28-19-11-7-17(8-12-19)23-25-21(29-26-23)14-22-24-20(15-30-22)16-5-9-18(10-6-16)27-4-2/h5-12,15H,3-4,13-14H2,1-2H3

InChI Key

VFBGRKSPKFPQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.847

Distribution Coefficient, logD

6.847

Water Solubility, LogSw

-5.90

Polar Surface Area

56.080

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M040-0450 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M040-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0450?
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What is the minimum amount of M040-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0450
  • 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 M040-0450 available by request