D065-0020 Screening compound: 4-[5-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine

D065-0020 Screening compound: 4-[5-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine
D065-0020 Screening compound: 4-[5-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0020
4-[5-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-ethyl-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

D065-0020

Molecular Formula

C18H15ClN6OS (C18 H15 ClN6 OS)

Compound Name

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

IUPAC name

4-[5-({[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4-ethyl-4H-124-triazol-3-yl]pyridine

SMILES

CCn1c(SCc2nc(-c(cc3)ccc3Cl)no2)nnc1-c1ccncc1

InChI

InChI=1S/C18H15ClN6OS/c1-2-25-17(13-7-9-20-10-8-13)22-23-18(25)27-11-15-21-16(24-26-15)12-3-5-14(19)6-4-12/h3-10H,2,11H2,1H3

InChI Key

WUAIFLAXSHXCGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10433838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.88

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

4.324

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.63

Polar Surface Area

64.737

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D065-0020 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D065-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0020?
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What is the minimum amount of D065-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0020
  • 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 D065-0020 available by request