D141-0200 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0200 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0200 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0200
3-(2,4-dimethoxyphenyl)-5-({[4-(3,4-dimethylphenyl)-5-methyl-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

D141-0200

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

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

IUPAC name

3-(24-dimethoxyphenyl)-5-({[4-(34-dimethylphenyl)-5-methyl-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazole

SMILES

Cc(n1-c2cc(C)c(C)cc2)nnc1SCc1nc(-c(ccc(OC)c2)c2OC)no1

InChI

InChI=1S/C22H23N5O3S/c1-13-6-7-16(10-14(13)2)27-15(3)24-25-22(27)31-12-20-23-21(26-30-20)18-9-8-17(28-4)11-19(18)29-5/h6-11H,12H2,1-5H3

InChI Key

GYVMJQMQQAWXIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

4.622

Water Solubility, LogSw

-4.57

Polar Surface Area

72.278

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D141-0200 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D141-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0200?
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What is the minimum amount of D141-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0200
  • 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 D141-0200 available by request