M040-0417 Screening compound: 3-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole

M040-0417 Screening compound: 3-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
M040-0417 Screening compound: 3-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0417
3-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-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

M040-0417

Molecular Formula

C18H12BrN3OS (C18 H12 BrN3 OS)

Compound Name

3-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole

IUPAC name

3-(4-bromophenyl)-5-[(4-phenyl-13-thiazol-2-yl)methyl]-124-oxadiazole

SMILES

Brc(cc1)ccc1-c1noc(Cc2nc(-c3ccccc3)cs2)n1

InChI

InChI=1S/C18H12BrN3OS/c19-14-8-6-13(7-9-14)18-21-16(23-22-18)10-17-20-15(11-24-17)12-4-2-1-3-5-12/h1-9,11H,10H2

InChI Key

RZXNHJYBKOXFIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.247

Distribution Coefficient, logD

6.247

Water Solubility, LogSw

-6.30

Polar Surface Area

41.539

Acid Dissociation Constant (pKa)

35.28

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M040-0417 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 M040-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0417?
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What is the minimum amount of M040-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0417
  • 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 M040-0417 available by request