D065-0108 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0108 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0108 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0108
5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-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

D065-0108

Molecular Formula

C22H16ClN5OS2 (C22 H16 ClN5 OS2)

Compound Name

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

IUPAC name

5-({[5-benzyl-4-(4-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-124-oxadiazole

SMILES

Clc(cc1)ccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1Cc1ccccc1

InChI

InChI=1S/C22H16ClN5OS2/c23-16-8-10-17(11-9-16)28-19(13-15-5-2-1-3-6-15)25-26-22(28)31-14-20-24-21(27-29-20)18-7-4-12-30-18/h1-12H,13-14H2

InChI Key

AKCRCENMTMMBOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-6.16

Polar Surface Area

58.050

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D065-0108 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D065-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0108?
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What is the minimum amount of D065-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0108
  • 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 D065-0108 available by request