8393-2021 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole

8393-2021 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole
8393-2021 Screening compound: 2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8393-2021
2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-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

8393-2021

Molecular Formula

C16H13BrN2O2S (C16 H13 BrN2 O2 S)

Compound Name

2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,3,4-oxadiazole

IUPAC name

2-{[(4-bromophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-134-oxadiazole

SMILES

COc(cc1)ccc1-c(o1)nnc1SCc(cc1)ccc1Br

InChI

InChI=1S/C16H13BrN2O2S/c1-20-14-8-4-12(5-9-14)15-18-19-16(21-15)22-10-11-2-6-13(17)7-3-11/h2-9H,10H2,1H3

InChI Key

JHQCBGXLXRBHHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07857942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.30

Polar Surface Area

37.608

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8393-2021 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 8393-2021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8393-2021?
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What is the minimum amount of 8393-2021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8393-2021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8393-2021
  • 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 8393-2021 available by request