8114-2680 Screening compound: 2-(2-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole

8114-2680 Screening compound: 2-(2-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole
8114-2680 Screening compound: 2-(2-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8114-2680
2-(2-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-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

8114-2680

Molecular Formula

C16H13ClN2OS (C16 H13 ClN2 OS)

Compound Name

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

IUPAC name

2-(2-chlorophenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-134-oxadiazole

SMILES

Cc1ccc(CSc2nnc(-c(cccc3)c3Cl)o2)cc1

InChI

InChI=1S/C16H13ClN2OS/c1-11-6-8-12(9-7-11)10-21-16-19-18-15(20-16)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3

InChI Key

GCYMWWAHSIOJIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10465593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.38

Polar Surface Area

30.064

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8114-2680 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8114-2680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8114-2680?
Check Price and Availability of 8114-2680, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8114-2680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8114-2680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8114-2680
  • 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 8114-2680 available by request