D141-0115 Screening compound: 4-[5-({[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine

D141-0115 Screening compound: 4-[5-({[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
D141-0115 Screening compound: 4-[5-({[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0115
4-[5-({[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-methoxyphenyl)-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

D141-0115

Molecular Formula

C25H22N6O3S (C25 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1-c1noc(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2OC)n1

InChI

InChI=1S/C25H22N6O3S/c1-3-33-21-7-5-4-6-20(21)23-27-22(34-30-23)16-35-25-29-28-24(17-12-14-26-15-13-17)31(25)18-8-10-19(32-2)11-9-18/h4-15H,3,16H2,1-2H3

InChI Key

CBKOKRNEOMCKDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.48

Polar Surface Area

80.238

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D141-0115 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0115?
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What is the minimum amount of D141-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0115
  • 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 D141-0115 available by request