D141-0155 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine

D141-0155 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine
D141-0155 Screening compound: 4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0155
4-[5-({[3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-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

D141-0155

Molecular Formula

C24H19FN6O3S (C24 H19 FN6 O3 S)

Compound Name

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

IUPAC name

4-[5-({[3-(25-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4-(4-fluorophenyl)-4H-124-triazol-3-yl]pyridine

SMILES

COc(cc1)cc(-c2noc(CSc3nnc(-c4ccncc4)n3-c(cc3)ccc3F)n2)c1OC

InChI

InChI=1S/C24H19FN6O3S/c1-32-18-7-8-20(33-2)19(13-18)22-27-21(34-30-22)14-35-24-29-28-23(15-9-11-26-12-10-15)31(24)17-5-3-16(25)4-6-17/h3-13H,14H2,1-2H3

InChI Key

XVZRQPQXDVGKES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.360

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.38

Polar Surface Area

80.658

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D141-0155 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0155?
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What is the minimum amount of D141-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0155
  • 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 D141-0155 available by request