D141-0010 Screening compound: 4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

D141-0010 Screening compound: 4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
D141-0010 Screening compound: 4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0010
4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

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

D141-0010

Molecular Formula

C23H17FN6OS (C23 H17 FN6 OS)

Compound Name

4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

4-[4-(4-fluorophenyl)-5-({[3-(2-methylphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4H-124-triazol-3-yl]pyridine

SMILES

Cc(cccc1)c1-c1noc(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2F)n1

InChI

InChI=1S/C23H17FN6OS/c1-15-4-2-3-5-19(15)21-26-20(31-29-21)14-32-23-28-27-22(16-10-12-25-13-11-16)30(23)18-8-6-17(24)7-9-18/h2-13H,14H2,1H3

InChI Key

GFBUIYFWWYPBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.734

Distribution Coefficient, logD

4.734

Water Solubility, LogSw

-4.59

Polar Surface Area

65.484

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D141-0010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Therapeutical Diversity Annotated Library (7563 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:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D141-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0010?
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What is the minimum amount of D141-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0010
  • 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 D141-0010 available by request