5818-0642 Screening compound: 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

5818-0642 Screening compound: 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
5818-0642 Screening compound: 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5818-0642
5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

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

5818-0642

Molecular Formula

C13H14N4S (C13 H14 N4 S)

Compound Name

5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

IUPAC name

58-diethyl-5H-[124]triazino[56-b]indole-3-thiol

SMILES

CCc(cc1)cc2c1n(CC)c1nc(S)nnc12

InChI

InChI=1S/C13H14N4S/c1-3-8-5-6-10-9(7-8)11-12(17(10)4-2)14-13(18)16-15-11/h5-7H,3-4H2,1-2H3,(H,14,16,18)

InChI Key

LINIQQGWMWSICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

1.967

Water Solubility, LogSw

-3.02

Polar Surface Area

31.851

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5818-0642 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5818-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5818-0642?
Check Price and Availability of 5818-0642, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5818-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5818-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5818-0642
  • 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 5818-0642 available by request