D141-0144 Screening compound: 3-(2-ethoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0144 Screening compound: 3-(2-ethoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0144 Screening compound: 3-(2-ethoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0144
3-(2-ethoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-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

D141-0144

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1-c1noc(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2OC)n1

InChI

InChI=1S/C26H23N5O3S/c1-3-33-22-12-8-7-11-21(22)24-27-23(34-30-24)17-35-26-29-28-25(18-9-5-4-6-10-18)31(26)19-13-15-20(32-2)16-14-19/h4-16H,3,17H2,1-2H3

InChI Key

JPUXJSLFWSCQTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.801

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-5.72

Polar Surface Area

70.810

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D141-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D141-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0144?
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What is the minimum amount of D141-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0144
  • 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 D141-0144 available by request