D065-0032 Screening compound: 4-[4-(4-methylphenyl)-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

D065-0032 Screening compound: 4-[4-(4-methylphenyl)-5-({[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
D065-0032 Screening compound: 4-[4-(4-methylphenyl)-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 D065-0032
4-[4-(4-methylphenyl)-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

D065-0032

Molecular Formula

C21H16N6OS2 (C21 H16 N6 OS2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C21H16N6OS2/c1-14-4-6-16(7-5-14)27-20(15-8-10-22-11-9-15)24-25-21(27)30-13-18-23-19(26-28-18)17-3-2-12-29-17/h2-12H,13H2,1H3

InChI Key

SRCVARPUZNCCDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.53

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

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.44

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

9.50

D065-0032 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D065-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D065-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0032
  • 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 D065-0032 available by request