M876-0589 Screening compound: 5-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-1,2,4-oxadiazole

M876-0589 Screening compound: 5-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-1,2,4-oxadiazole
M876-0589 Screening compound: 5-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M876-0589
5-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-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

M876-0589

Molecular Formula

C18H13BrN4O2 (C18 H13 BrN4 O2)

Compound Name

5-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-1,2,4-oxadiazole

IUPAC name

5-{[5-(3-bromophenyl)-134-oxadiazol-2-yl]methyl}-3-(3-methylphenyl)-124-oxadiazole

SMILES

Cc1cccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)c1

InChI

InChI=1S/C18H13BrN4O2/c1-11-4-2-5-12(8-11)17-20-15(25-23-17)10-16-21-22-18(24-16)13-6-3-7-14(19)9-13/h2-9H,10H2,1H3

InChI Key

DBXOFDUKRCWELB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.80

Polar Surface Area

61.491

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

M876-0589 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 M876-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M876-0589?
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What is the minimum amount of M876-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M876-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M876-0589
  • 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 M876-0589 available by request