D065-0090 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

D065-0090 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
D065-0090 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0090
5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-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

D065-0090

Molecular Formula

C19H16FN5OS (C19 H16 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c(cc2)ccc2F)nnc1SCc1nc(-c2ccc(C)cc2)no1

InChI

InChI=1S/C19H16FN5OS/c1-12-3-5-14(6-4-12)18-21-17(26-24-18)11-27-19-23-22-13(2)25(19)16-9-7-15(20)8-10-16/h3-10H,11H2,1-2H3

InChI Key

CLZJXVJSSQBWLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.27

Polar Surface Area

57.104

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D065-0090 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D065-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0090?
Check Price and Availability of D065-0090, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D065-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0090
  • 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 D065-0090 available by request