4896-2137 Screening compound: 8-ethyl-3-(prop-2-en-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

4896-2137 Screening compound: 8-ethyl-3-(prop-2-en-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
4896-2137 Screening compound: 8-ethyl-3-(prop-2-en-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-2137
8-ethyl-3-(prop-2-en-1-ylsulfanyl)-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

4896-2137

Molecular Formula

C14H14N4S (C14 H14 N4 S)

Compound Name

8-ethyl-3-(prop-2-en-1-ylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

IUPAC name

8-ethyl-3-(prop-2-en-1-ylsulfanyl)-5H-[124]triazino[56-b]indole

SMILES

CCc(cc1)cc2c1[nH]c1nc(SCC=C)nnc12

InChI

InChI=1S/C14H14N4S/c1-3-7-19-14-16-13-12(17-18-14)10-8-9(4-2)5-6-11(10)15-13/h3,5-6,8H,1,4,7H2,2H3,(H,15,16,18)

InChI Key

GJGCZRZJAFCXRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01161733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.47

Polar Surface Area

41.806

Acid Dissociation Constant (pKa)

17.99

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

4896-2137 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4896-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-2137?
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What is the minimum amount of 4896-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-2137
  • 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 4896-2137 available by request