D141-0108 Screening compound: 3-(2-ethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D141-0108 Screening compound: 3-(2-ethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D141-0108 Screening compound: 3-(2-ethoxyphenyl)-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 D141-0108
3-(2-ethoxyphenyl)-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

D141-0108

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCc2nc(-c(cccc3)c3OCC)no2)nnc1-c1ccccc1

InChI

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

InChI Key

CTXFOIODADZMMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10876495

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-4.68

Polar Surface Area

62.519

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D141-0108 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D141-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0108?
Check Price and Availability of D141-0108, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D141-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0108
  • 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 D141-0108 available by request