D141-0196 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine

D141-0196 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine
D141-0196 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0196
4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-methyl-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

D141-0196

Molecular Formula

C19H18N6O3S (C19 H18 N6 O3 S)

Compound Name

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

IUPAC name

4-[5-({[3-(24-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4-methyl-4H-124-triazol-3-yl]pyridine

SMILES

Cn1c(SCc2nc(-c(ccc(OC)c3)c3OC)no2)nnc1-c1ccncc1

InChI

InChI=1S/C19H18N6O3S/c1-25-18(12-6-8-20-9-7-12)22-23-19(25)29-11-16-21-17(24-28-16)14-5-4-13(26-2)10-15(14)27-3/h4-10H,11H2,1-3H3

InChI Key

YKJSCFYJIWARQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.12

Polar Surface Area

80.996

Acid Dissociation Constant (pKa)

21.48

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D141-0196 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0196?
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What is the minimum amount of D141-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0196
  • 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 D141-0196 available by request