D065-0054 Screening compound: 3-(4-methoxyphenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D065-0054 Screening compound: 3-(4-methoxyphenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D065-0054 Screening compound: 3-(4-methoxyphenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0054
3-(4-methoxyphenyl)-5-{[(5-methyl-4-phenyl-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

D065-0054

Molecular Formula

C19H17N5O2S (C19 H17 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c2ccccc2)nnc1SCc1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C19H17N5O2S/c1-13-21-22-19(24(13)15-6-4-3-5-7-15)27-12-17-20-18(23-26-17)14-8-10-16(25-2)11-9-14/h3-11H,12H2,1-2H3

InChI Key

OJVFRWHDSWWGIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05844124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

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

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.92

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

15.80

D065-0054 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D065-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0054?
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What is the minimum amount of D065-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0054
  • 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 D065-0054 available by request