Y020-9585 Screening compound: 7-(2-methylphenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

Y020-9585 Screening compound: 7-(2-methylphenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Y020-9585 Screening compound: 7-(2-methylphenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9585
7-(2-methylphenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

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

Y020-9585

Molecular Formula

C15H12N6OS (C15 H12 N6 OS)

Compound Name

7-(2-methylphenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

IUPAC name

11-(2-methylphenyl)-4-(methylsulfanyl)-2357811-hexaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

Cc(cccc1)c1N(C=Cc1c2nnc3nc(SC)nn13)C2=O

InChI

InChI=1S/C15H12N6OS/c1-9-5-3-4-6-10(9)20-8-7-11-12(13(20)22)17-18-14-16-15(23-2)19-21(11)14/h3-8H,1-2H3

InChI Key

CWKGQOVYDFJMFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21611335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.37

Polar Surface Area

62.529

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y020-9585 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-9585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9585?
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What is the minimum amount of Y020-9585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9585
  • 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 Y020-9585 available by request