D727-0439 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0439 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0439 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0439
6-(2H-1,3-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D727-0439

Molecular Formula

C18H14N4O3S (C18 H14 N4 O3 S)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(2H-13-benzodioxol-5-yl)-3-[(4-methylphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(cc1)ccc1OCc1nnc2sc(-c(cc3)cc4c3OCO4)nn12

InChI

InChI=1S/C18H14N4O3S/c1-11-2-5-13(6-3-11)23-9-16-19-20-18-22(16)21-17(26-18)12-4-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3

InChI Key

WTCOIUFDADRLJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09184363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.61

Polar Surface Area

59.312

Acid Dissociation Constant (pKa)

27.61

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D727-0439 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D727-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0439?
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What is the minimum amount of D727-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0439
  • 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 D727-0439 available by request