D065-0172 Screening compound: 5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0172 Screening compound: 5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0172 Screening compound: 5-({[5-benzyl-4-(4-ethylphenyl)-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 D065-0172
5-({[5-benzyl-4-(4-ethylphenyl)-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

D065-0172

Molecular Formula

C24H21N5OS2 (C24 H21 N5 OS2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H21N5OS2/c1-2-17-10-12-19(13-11-17)29-21(15-18-7-4-3-5-8-18)26-27-24(29)32-16-22-25-23(28-30-22)20-9-6-14-31-20/h3-14H,2,15-16H2,1H3

InChI Key

WOQPRPLHMDABJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.161

Distribution Coefficient, logD

6.161

Water Solubility, LogSw

-5.70

Polar Surface Area

58.050

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D065-0172 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D065-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0172?
Check Price and Availability of D065-0172, 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 D065-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0172
  • 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 D065-0172 available by request