D065-0112 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

D065-0112 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
D065-0112 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-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 D065-0112
5-({[5-benzyl-4-(4-methoxyphenyl)-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

D065-0112

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(CSc2nnc(Cc3ccccc3)n2-c(cc2)ccc2OC)n1

InChI

InChI=1S/C26H23N5O2S/c1-18-8-10-20(11-9-18)25-27-24(33-30-25)17-34-26-29-28-23(16-19-6-4-3-5-7-19)31(26)21-12-14-22(32-2)15-13-21/h3-15H,16-17H2,1-2H3

InChI Key

SUEQKIMSHCCHEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

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

5.975

Distribution Coefficient, logD

5.975

Water Solubility, LogSw

-5.74

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

15.40

D065-0112 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Aurora A-B Kinases Targeted Library (9426 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 D065-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0112?
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What is the minimum amount of D065-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0112
  • 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 D065-0112 available by request