D065-0009 Screening compound: 4-[4-(4-fluorophenyl)-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

D065-0009 Screening compound: 4-[4-(4-fluorophenyl)-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
D065-0009 Screening compound: 4-[4-(4-fluorophenyl)-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 D065-0009
4-[4-(4-fluorophenyl)-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

D065-0009

Molecular Formula

C20H13FN6OS2 (C20 H13 FN6 OS2)

Compound Name

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

SMILES

Fc(cc1)ccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1

InChI

InChI=1S/C20H13FN6OS2/c21-14-3-5-15(6-4-14)27-19(13-7-9-22-10-8-13)24-25-20(27)30-12-17-23-18(26-28-17)16-2-1-11-29-16/h1-11H,12H2

InChI Key

HTJYHALJFVSQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06626228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.38

Polar Surface Area

66.502

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D065-0009 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 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
Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D065-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D065-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0009
  • 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 D065-0009 available by request