D065-0014 Screening compound: 4-[4-propyl-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

D065-0014 Screening compound: 4-[4-propyl-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
D065-0014 Screening compound: 4-[4-propyl-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0014
4-[4-propyl-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

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

D065-0014

Molecular Formula

C17H16N6OS2 (C17 H16 N6 OS2)

Compound Name

4-[4-propyl-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

4-[4-propyl-5-({[3-(thiophen-2-yl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4H-124-triazol-3-yl]pyridine

SMILES

CCCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1

InChI

InChI=1S/C17H16N6OS2/c1-2-9-23-16(12-5-7-18-8-6-12)20-21-17(23)26-11-14-19-15(22-24-14)13-4-3-10-25-13/h3-8,10H,2,9,11H2,1H3

InChI Key

QKUJRBBFTMDQIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06625512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-3.73

Polar Surface Area

66.009

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D065-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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:
  • Immune system

References: we are preparing a list of scientific research reports with D065-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0014?
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What is the minimum amount of D065-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0014
  • 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 D065-0014 available by request