D141-0149 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D141-0149 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D141-0149 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0149
3-(2,5-dimethoxyphenyl)-5-{[(4-ethyl-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

D141-0149

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc2nc(-c(cc(cc3)OC)c3OC)no2)nnc1-c1ccccc1

InChI

InChI=1S/C21H21N5O3S/c1-4-26-20(14-8-6-5-7-9-14)23-24-21(26)30-13-18-22-19(25-29-18)16-12-15(27-2)10-11-17(16)28-3/h5-12H,4,13H2,1-3H3

InChI Key

OYLYDQVRBHOQMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.49

Polar Surface Area

70.483

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D141-0149 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D141-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0149?
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What is the minimum amount of D141-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0149
  • 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 D141-0149 available by request