4896-1383 Screening compound: 3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

4896-1383 Screening compound: 3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
4896-1383 Screening compound: 3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-1383
3-(propylsulfanyl)-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

4896-1383

Molecular Formula

C12H12N4S (C12 H12 N4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSc1nnc(c(cccc2)c2[nH]2)c2n1

InChI

InChI=1S/C12H12N4S/c1-2-7-17-12-14-11-10(15-16-12)8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,13,14,16)

InChI Key

CVDJXTTTXAPJJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00443105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.32

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

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.71

Polar Surface Area

41.806

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4896-1383 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4896-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-1383?
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What is the minimum amount of 4896-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-1383
  • 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 4896-1383 available by request