8004-8370 Screening compound: 3-(benzylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

8004-8370 Screening compound: 3-(benzylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
8004-8370 Screening compound: 3-(benzylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8370
3-(benzylsulfanyl)-5H-[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

8004-8370

Molecular Formula

C16H12N4S (C16 H12 N4 S)

Compound Name

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

IUPAC name

3-(benzylsulfanyl)-5H-[124]triazino[56-b]indole

SMILES

C(c1ccccc1)Sc1nnc(c(cccc2)c2[nH]2)c2n1

InChI

InChI=1S/C16H12N4S/c1-2-6-11(7-3-1)10-21-16-18-15-14(19-20-16)12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18,20)

InChI Key

WBVHPGIBBFVLKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

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

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.09

Polar Surface Area

41.535

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8004-8370 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-8370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8370?
Check Price and Availability of 8004-8370, 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 8004-8370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8370
  • 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 8004-8370 available by request