D141-0016 Screening compound: 4-[5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyridine

D141-0016 Screening compound: 4-[5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyridine
D141-0016 Screening compound: 4-[5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0016
4-[5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-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

D141-0016

Molecular Formula

C23H18N6OS (C23 H18 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)n1

InChI

InChI=1S/C23H18N6OS/c1-16-7-5-6-10-19(16)21-25-20(30-28-21)15-31-23-27-26-22(17-11-13-24-14-12-17)29(23)18-8-3-2-4-9-18/h2-14H,15H2,1H3

InChI Key

BCAGAXONCZMVLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10817222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

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

4.584

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.51

Polar Surface Area

65.484

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D141-0016 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0016?
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What is the minimum amount of D141-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0016
  • 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 D141-0016 available by request