Y020-9587 Screening compound: 7-(2-chlorophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one

Y020-9587 Screening compound: 7-(2-chlorophenyl)-2-(methylsulfanyl)pyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Y020-9587 Screening compound: 7-(2-chlorophenyl)-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 Y020-9587
7-(2-chlorophenyl)-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

Y020-9587

Molecular Formula

C14H9ClN6OS (C14 H9 ClN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1nn2c(C=CN(c(cccc3)c3Cl)C3=O)c3nnc2n1

InChI

InChI=1S/C14H9ClN6OS/c1-23-14-16-13-18-17-11-10(21(13)19-14)6-7-20(12(11)22)9-5-3-2-4-8(9)15/h2-7H,1H3

InChI Key

GVARNVPTBUAERP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20503560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.78

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

3.192

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-3.51

Polar Surface Area

62.529

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

Y020-9587 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

RNA-Protein Interaction Inhibitors Library (1986 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 Y020-9587 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-9587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9587
  • 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 Y020-9587 available by request