4127-0074 Screening compound: 2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

4127-0074 Screening compound: 2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione
4127-0074 Screening compound: 2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4127-0074
2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

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

4127-0074

Molecular Formula

C9H6N4S (C9 H6 N4 S)

Compound Name

2H,3H,5H-[1,2,4]triazino[5,6-b]indole-3-thione

IUPAC name

2H3H5H-[124]triazino[56-b]indole-3-thione

SMILES

S=C1N=C2Nc(cccc3)c3C2=NN1

InChI

InChI=1S/C9H6N4S/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-4H,(H2,10,11,13,14)

InChI Key

RPEJKVRRTJDBSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00115366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.608

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.10

Polar Surface Area

39.990

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4127-0074 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4127-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4127-0074?
Check Price and Availability of 4127-0074, 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 4127-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4127-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4127-0074
  • 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 4127-0074 available by request