D141-0168 Screening compound: 3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0168 Screening compound: 3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0168 Screening compound: 3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0168
3-(2,5-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-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

D141-0168

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

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

IUPAC name

3-(25-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazole

SMILES

CCOc(cc1)ccc1-n1c(SCc2nc(-c(cc(cc3)OC)c3OC)no2)nnc1C

InChI

InChI=1S/C22H23N5O4S/c1-5-30-16-8-6-15(7-9-16)27-14(2)24-25-22(27)32-13-20-23-21(26-31-20)18-12-17(28-3)10-11-19(18)29-4/h6-12H,5,13H2,1-4H3

InChI Key

OITMEZGABJVFEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

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

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.03

Polar Surface Area

79.402

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D141-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0168?
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What is the minimum amount of D141-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0168
  • 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 D141-0168 available by request