D065-0106 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

D065-0106 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
D065-0106 Screening compound: 5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0106
5-({[5-benzyl-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-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

D065-0106

Molecular Formula

C25H20ClN5OS (C25 H20 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H20ClN5OS/c1-17-7-9-19(10-8-17)24-27-23(32-30-24)16-33-25-29-28-22(15-18-5-3-2-4-6-18)31(25)21-13-11-20(26)12-14-21/h2-14H,15-16H2,1H3

InChI Key

HMVDPSBMURUMKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.587

Distribution Coefficient, logD

6.587

Water Solubility, LogSw

-6.49

Polar Surface Area

57.032

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D065-0106 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D065-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0106?
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What is the minimum amount of D065-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0106
  • 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 D065-0106 available by request