D065-0063 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D065-0063 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D065-0063 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0063
3-(4-methoxyphenyl)-5-({[5-methyl-4-(4-methylphenyl)-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

D065-0063

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

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

IUPAC name

3-(4-methoxyphenyl)-5-({[5-methyl-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazole

SMILES

Cc(n1-c2ccc(C)cc2)nnc1SCc1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C20H19N5O2S/c1-13-4-8-16(9-5-13)25-14(2)22-23-20(25)28-12-18-21-19(24-27-18)15-6-10-17(26-3)11-7-15/h4-11H,12H2,1-3H3

InChI Key

SWXHZDBAGUMSCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

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

4.193

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.25

Polar Surface Area

64.648

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D065-0063 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 D065-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0063?
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What is the minimum amount of D065-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0063
  • 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 D065-0063 available by request