D065-0110 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

D065-0110 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
D065-0110 Screening compound: 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0110
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(3,4-dimethoxyphenyl)-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

D065-0110

Molecular Formula

C26H23N5O3S (C26 H23 N5 O3 S)

Compound Name

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

IUPAC name

5-{[(5-benzyl-4-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}-3-(34-dimethoxyphenyl)-124-oxadiazole

SMILES

COc(ccc(-c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1)c1)c1OC

InChI

InChI=1S/C26H23N5O3S/c1-32-21-14-13-19(16-22(21)33-2)25-27-24(34-30-25)17-35-26-29-28-23(15-18-9-5-3-6-10-18)31(26)20-11-7-4-8-12-20/h3-14,16H,15,17H2,1-2H3

InChI Key

OFXIZINTSOFLAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12332701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.070

Water Solubility, LogSw

-4.88

Polar Surface Area

72.293

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D065-0110 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D065-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0110?
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What is the minimum amount of D065-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0110
  • 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 D065-0110 available by request