4896-1949 Screening compound: 8-methyl-3-(pentylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

4896-1949 Screening compound: 8-methyl-3-(pentylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
4896-1949 Screening compound: 8-methyl-3-(pentylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-1949
8-methyl-3-(pentylsulfanyl)-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

4896-1949

Molecular Formula

C15H18N4S (C15 H18 N4 S)

Compound Name

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

IUPAC name

8-methyl-3-(pentylsulfanyl)-5H-[124]triazino[56-b]indole

SMILES

CCCCCSc1nnc(c(cc(C)cc2)c2[nH]2)c2n1

InChI

InChI=1S/C15H18N4S/c1-3-4-5-8-20-15-17-14-13(18-19-15)11-9-10(2)6-7-12(11)16-14/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,19)

InChI Key

FZGJHJYQTWDAAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.21

Polar Surface Area

41.806

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4896-1949 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4896-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-1949?
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What is the minimum amount of 4896-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-1949
  • 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 4896-1949 available by request