4896-1336 Screening compound: 6-methyl-3-(methylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

4896-1336 Screening compound: 6-methyl-3-(methylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
4896-1336 Screening compound: 6-methyl-3-(methylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-1336
6-methyl-3-(methylsulfanyl)-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

4896-1336

Molecular Formula

C11H10N4S (C11 H10 N4 S)

Compound Name

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

IUPAC name

6-methyl-3-(methylsulfanyl)-5H-[124]triazino[56-b]indole

SMILES

Cc1cccc2c1[nH]c1nc(SC)nnc12

InChI

InChI=1S/C11H10N4S/c1-6-4-3-5-7-8(6)12-10-9(7)14-15-11(13-10)16-2/h3-5H,1-2H3,(H,12,13,15)

InChI Key

OSUVBCRFXBJDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.55

Polar Surface Area

42.576

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

4896-1336 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-1336?
Check Price and Availability of 4896-1336, 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 4896-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-1336
  • 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 4896-1336 available by request