D065-0002 Screening compound: 3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D065-0002 Screening compound: 3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D065-0002 Screening compound: 3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0002
3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

D065-0002

Molecular Formula

C18H14ClN5OS (C18 H14 ClN5 OS)

Compound Name

3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

IUPAC name

3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazole

SMILES

Cn1c(SCc2nc(-c(cc3)ccc3Cl)no2)nnc1-c1ccccc1

InChI

InChI=1S/C18H14ClN5OS/c1-24-17(13-5-3-2-4-6-13)21-22-18(24)26-11-15-20-16(23-25-15)12-7-9-14(19)10-8-12/h2-10H,11H2,1H3

InChI Key

MRNVECAPDLCPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-5.01

Polar Surface Area

56.394

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D065-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D065-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0002?
Check Price and Availability of D065-0002, 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 D065-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0002
  • 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 D065-0002 available by request