4921-0823 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(phenoxymethyl)-1,3,4-oxadiazole

4921-0823 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(phenoxymethyl)-1,3,4-oxadiazole
4921-0823 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(phenoxymethyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4921-0823
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(phenoxymethyl)-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

4921-0823

Molecular Formula

C16H13ClN2O2S (C16 H13 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Clc1ccc(CSc2nnc(COc3ccccc3)o2)cc1

InChI

InChI=1S/C16H13ClN2O2S/c17-13-8-6-12(7-9-13)11-22-16-19-18-15(21-16)10-20-14-4-2-1-3-5-14/h1-9H,10-11H2

InChI Key

ZROMCEXTEQYNDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04086105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.11

Polar Surface Area

37.229

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4921-0823 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4921-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4921-0823?
Check Price and Availability of 4921-0823, 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 4921-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4921-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4921-0823
  • 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 4921-0823 available by request