8019-6539 Screening compound: 1-(methylsulfanyl)-10H-[1,2,4]triazolo[3',4':3,4][1,2,4]triazino[5,6-b]indole

8019-6539 Screening compound: 1-(methylsulfanyl)-10H-[1,2,4]triazolo[3',4':3,4][1,2,4]triazino[5,6-b]indole
8019-6539 Screening compound: 1-(methylsulfanyl)-10H-[1,2,4]triazolo[3',4':3,4][1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6539
1-(methylsulfanyl)-10H-[1,2,4]triazolo[3',4':3,4][1,2,4]triazino[5,6-b]indole

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

8019-6539

Molecular Formula

C11H8N6S (C11 H8 N6 S)

Compound Name

1-(methylsulfanyl)-10H-[1,2,4]triazolo[3',4':3,4][1,2,4]triazino[5,6-b]indole

IUPAC name

3-(methylsulfanyl)-2457816-hexaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)357101214-heptaene

SMILES

CSc1nnc2nnc(c(cccc3)c3[nH]3)c3n12

InChI

InChI=1S/C11H8N6S/c1-18-11-16-15-10-14-13-8-6-4-2-3-5-7(6)12-9(8)17(10)11/h2-5,12H,1H3

InChI Key

ALMBGACCSIZHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02042023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.154

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-1.84

Polar Surface Area

55.489

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8019-6539 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-6539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6539?
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What is the minimum amount of 8019-6539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6539
  • 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 8019-6539 available by request