D727-0045 Screening compound: 3-[6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

D727-0045 Screening compound: 3-[6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine
D727-0045 Screening compound: 3-[6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0045
3-[6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

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

D727-0045

Molecular Formula

C15H11N5S (C15 H11 N5 S)

Compound Name

3-[6-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

IUPAC name

3-[6-(2-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-3-yl]pyridine

SMILES

Cc(cccc1)c1-c(s1)nn2c1nnc2-c1cnccc1

InChI

InChI=1S/C15H11N5S/c1-10-5-2-3-7-12(10)14-19-20-13(17-18-15(20)21-14)11-6-4-8-16-9-11/h2-9H,1H3

InChI Key

YYVVVNFIWPPXBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04029522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.31

Polar Surface Area

43.239

Acid Dissociation Constant (pKa)

28.18

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D727-0045 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0045?
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What is the minimum amount of D727-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0045
  • 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 D727-0045 available by request