8009-7530 Screening compound: 5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol

8009-7530 Screening compound: 5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
8009-7530 Screening compound: 5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7530
5-(2-phenylethyl)-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

8009-7530

Molecular Formula

C17H14N4S (C17 H14 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Sc1nnc(c(cccc2)c2n2CCc3ccccc3)c2n1

InChI

InChI=1S/C17H14N4S/c22-17-18-16-15(19-20-17)13-8-4-5-9-14(13)21(16)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20,22)

InChI Key

JZMKJONDRDUVGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.57

Polar Surface Area

31.833

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8009-7530 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 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 8009-7530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7530?
Check Price and Availability of 8009-7530, 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 8009-7530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7530
  • 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 8009-7530 available by request