D065-0012 Screening compound: 4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-propyl-4H-1,2,4-triazol-3-yl]pyridine

D065-0012 Screening compound: 4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-propyl-4H-1,2,4-triazol-3-yl]pyridine
D065-0012 Screening compound: 4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-propyl-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0012
4-[5-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-propyl-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

D065-0012

Molecular Formula

C20H20N6O2S (C20 H20 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(SCc2nc(-c(cc3)ccc3OC)no2)nnc1-c1ccncc1

InChI

InChI=1S/C20H20N6O2S/c1-3-12-26-19(15-8-10-21-11-9-15)23-24-20(26)29-13-17-22-18(25-28-17)14-4-6-16(27-2)7-5-14/h4-11H,3,12-13H2,1-2H3

InChI Key

KUAUJIKRQSGQLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-3.96

Polar Surface Area

72.534

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D065-0012 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D065-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0012?
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What is the minimum amount of D065-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0012
  • 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 D065-0012 available by request