D141-0148 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D141-0148 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D141-0148 Screening compound: 3-(2,5-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0148
3-(2,5-dimethoxyphenyl)-5-{[(4,5-diphenyl-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

D141-0148

Molecular Formula

C25H21N5O3S (C25 H21 N5 O3 S)

Compound Name

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

IUPAC name

3-(25-dimethoxyphenyl)-5-{[(45-diphenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-124-oxadiazole

SMILES

COc(cc1)cc(-c2noc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)n2)c1OC

InChI

InChI=1S/C25H21N5O3S/c1-31-19-13-14-21(32-2)20(15-19)23-26-22(33-29-23)16-34-25-28-27-24(17-9-5-3-6-10-17)30(25)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3

InChI Key

KBXMGLIYPNGXFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

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

5.353

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-5.56

Polar Surface Area

71.230

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D141-0148 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D141-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0148?
Check Price and Availability of D141-0148, 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 D141-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0148
  • 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 D141-0148 available by request