D065-0092 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

D065-0092 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
D065-0092 Screening compound: 5-({[4-(4-fluorophenyl)-5-methyl-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 D065-0092
5-({[4-(4-fluorophenyl)-5-methyl-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

D065-0092

Molecular Formula

C19H16FN5O2S (C19 H16 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c(cc2)ccc2F)nnc1SCc1nc(-c(cc2)ccc2OC)no1

InChI

InChI=1S/C19H16FN5O2S/c1-12-22-23-19(25(12)15-7-5-14(20)6-8-15)28-11-17-21-18(24-27-17)13-3-9-16(26-2)10-4-13/h3-10H,11H2,1-2H3

InChI Key

DPINWTLUUHWVQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.08

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

D065-0092 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D065-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0092?
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What is the minimum amount of D065-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0092
  • 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 D065-0092 available by request