D141-0124 Screening compound: 3-(2-ethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0124 Screening compound: 3-(2-ethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0124 Screening compound: 3-(2-ethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0124
3-(2-ethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-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

D141-0124

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1-c1noc(CSc2nnc(C)n2-c2cc(C)ccc2)n1

InChI

InChI=1S/C21H21N5O2S/c1-4-27-18-11-6-5-10-17(18)20-22-19(28-25-20)13-29-21-24-23-15(3)26(21)16-9-7-8-14(2)12-16/h5-12H,4,13H2,1-3H3

InChI Key

HCYZGBWBBDVKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

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

4.243

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.40

Polar Surface Area

64.314

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D141-0124 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0124?
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What is the minimum amount of D141-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0124
  • 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 D141-0124 available by request