D065-0107 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

D065-0107 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
D065-0107 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-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 D065-0107
5-({[5-benzyl-4-(4-chlorophenyl)-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

D065-0107

Molecular Formula

C25H20ClN5O2S (C25 H20 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(CSc2nnc(Cc3ccccc3)n2-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C25H20ClN5O2S/c1-32-21-13-7-18(8-14-21)24-27-23(33-30-24)16-34-25-29-28-22(15-17-5-3-2-4-6-17)31(25)20-11-9-19(26)10-12-20/h2-14H,15-16H2,1H3

InChI Key

XFOMWTKVHWXVRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.146

Distribution Coefficient, logD

6.146

Water Solubility, LogSw

-6.32

Polar Surface Area

64.575

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D065-0107 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Transcription Factors Annotated Library (5098 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D065-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0107?
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What is the minimum amount of D065-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0107
  • 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 D065-0107 available by request