D141-0246 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

D141-0246 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
D141-0246 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0246
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

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

D141-0246

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-{[(5-benzyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-3-(4-ethoxyphenyl)-124-oxadiazole

SMILES

CCOc(cc1)ccc1-c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1

InChI

InChI=1S/C26H23N5O2S/c1-2-32-22-15-13-20(14-16-22)25-27-24(33-30-25)18-34-26-29-28-23(17-19-9-5-3-6-10-19)31(26)21-11-7-4-8-12-21/h3-16H,2,17-18H2,1H3

InChI Key

BDGDYMYRUYPHEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11289070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.70

Polar Surface Area

64.155

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D141-0246 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0246?
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What is the minimum amount of D141-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0246
  • 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 D141-0246 available by request