5818-0637 Screening compound: 5-[2-(diethylamino)ethyl]-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

5818-0637 Screening compound: 5-[2-(diethylamino)ethyl]-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
5818-0637 Screening compound: 5-[2-(diethylamino)ethyl]-5H-[1,2,4]triazino[5,6-b]indole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5818-0637
5-[2-(diethylamino)ethyl]-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

5818-0637

Molecular Formula

C15H19N5S (C15 H19 N5 S)

Compound Name

5-[2-(diethylamino)ethyl]-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

IUPAC name

5-[2-(diethylamino)ethyl]-5H-[124]triazino[56-b]indole-3-thiol

SMILES

CCN(CC)CCn1c2nc(S)nnc2c2c1cccc2

InChI

InChI=1S/C15H19N5S/c1-3-19(4-2)9-10-20-12-8-6-5-7-11(12)13-14(20)16-15(21)18-17-13/h5-8H,3-4,9-10H2,1-2H3,(H,16,18,21)

InChI Key

WJADQMVJUWFISG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04030370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-2.67

Polar Surface Area

35.516

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5818-0637 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5818-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5818-0637?
Check Price and Availability of 5818-0637, 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 5818-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5818-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5818-0637
  • 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 5818-0637 available by request