D065-0162 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

D065-0162 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
D065-0162 Screening compound: 3-(3,4-dimethoxyphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0162
3-(3,4-dimethoxyphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-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

D065-0162

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(SCc2nc(-c(cc3)cc(OC)c3OC)no2)nnc1-c1ccccc1

InChI

InChI=1S/C22H23N5O3S/c1-4-12-27-21(15-8-6-5-7-9-15)24-25-22(27)31-14-19-23-20(26-30-19)16-10-11-17(28-2)18(13-16)29-3/h5-11,13H,4,12,14H2,1-3H3

InChI Key

BHFXRSCHPSUPOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

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

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.74

Polar Surface Area

70.823

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D065-0162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

References: we are preparing a list of scientific research reports with D065-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0162?
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What is the minimum amount of D065-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0162
  • 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 D065-0162 available by request