D065-0168 Screening compound: 5-({[5-(4-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

D065-0168 Screening compound: 5-({[5-(4-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
D065-0168 Screening compound: 5-({[5-(4-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0168
5-({[5-(4-chlorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-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

D065-0168

Molecular Formula

C24H17ClFN5O2S (C24 H17 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(CSc2nnc(-c(cc3)ccc3Cl)n2-c(cc2)ccc2F)n1

InChI

InChI=1S/C24H17ClFN5O2S/c1-32-20-12-4-15(5-13-20)22-27-21(33-30-22)14-34-24-29-28-23(16-2-6-17(25)7-3-16)31(24)19-10-8-18(26)9-11-19/h2-13H,14H2,1H3

InChI Key

XBYYKBWBUIEMQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.542

Water Solubility, LogSw

-6.72

Polar Surface Area

63.599

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D065-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D065-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0168?
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What is the minimum amount of D065-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0168
  • 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 D065-0168 available by request