D065-0100 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

D065-0100 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
D065-0100 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-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 D065-0100
5-({[5-benzyl-4-(3-methylphenyl)-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

D065-0100

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc3nc(-c(cc4)cc(OC)c4OC)no3)nnc2Cc2ccccc2)c1

InChI

InChI=1S/C27H25N5O3S/c1-18-8-7-11-21(14-18)32-24(15-19-9-5-4-6-10-19)29-30-27(32)36-17-25-28-26(31-35-25)20-12-13-22(33-2)23(16-20)34-3/h4-14,16H,15,17H2,1-3H3

InChI Key

OXIUUAPQNJSCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

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

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.67

Polar Surface Area

72.293

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D065-0100 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Therapeutical Diversity Annotated Library (7563 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
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D065-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0100?
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What is the minimum amount of D065-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0100
  • 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 D065-0100 available by request