D141-0159 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyridine

D141-0159 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pyridine
D141-0159 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-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 D141-0159
4-[5-({[3-(2,5-dimethoxyphenyl)-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

D141-0159

Molecular Formula

C24H20N6O3S (C24 H20 N6 O3 S)

Compound Name

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

IUPAC name

4-[5-({[3-(25-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4-phenyl-4H-124-triazol-3-yl]pyridine

SMILES

COc(cc1)cc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)n2)c1OC

InChI

InChI=1S/C24H20N6O3S/c1-31-18-8-9-20(32-2)19(14-18)22-26-21(33-29-22)15-34-24-28-27-23(16-10-12-25-13-11-16)30(24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3

InChI Key

GIBVJJIUTYLSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.39

Polar Surface Area

80.658

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D141-0159 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0159?
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What is the minimum amount of D141-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0159
  • 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 D141-0159 available by request