D141-0243 Screening compound: 3-(4-ethoxyphenyl)-5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0243 Screening compound: 3-(4-ethoxyphenyl)-5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0243 Screening compound: 3-(4-ethoxyphenyl)-5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0243
3-(4-ethoxyphenyl)-5-({[4-(4-fluorophenyl)-5-methyl-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

D141-0243

Molecular Formula

C20H18FN5O2S (C20 H18 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1noc(CSc2nnc(C)n2-c(cc2)ccc2F)n1

InChI

InChI=1S/C20H18FN5O2S/c1-3-27-17-10-4-14(5-11-17)19-22-18(28-25-19)12-29-20-24-23-13(2)26(20)16-8-6-15(21)7-9-16/h4-11H,3,12H2,1-2H3

InChI Key

YKKOUFBHGZZEGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.16

Polar Surface Area

64.228

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D141-0243 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D141-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0243?
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What is the minimum amount of D141-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0243
  • 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 D141-0243 available by request