6188-0180 Screening compound: 3-(benzylsulfanyl)-10-methyl-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole

6188-0180 Screening compound: 3-(benzylsulfanyl)-10-methyl-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole
6188-0180 Screening compound: 3-(benzylsulfanyl)-10-methyl-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0180
3-(benzylsulfanyl)-10-methyl-10H-[1,2,4]triazolo[4',3':2,3][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

6188-0180

Molecular Formula

C18H14N6S (C18 H14 N6 S)

Compound Name

3-(benzylsulfanyl)-10-methyl-10H-[1,2,4]triazolo[4',3':2,3][1,2,4]triazino[5,6-b]indole

IUPAC name

14-(benzylsulfanyl)-8-methyl-81012131516-hexaazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(16)24691113-heptaene

SMILES

Cn(c(cccc1)c1c1nn23)c1nc3nnc2SCc1ccccc1

InChI

InChI=1S/C18H14N6S/c1-23-14-10-6-5-9-13(14)15-16(23)19-17-20-21-18(24(17)22-15)25-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChI Key

GEEMNYZCZHLDKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03718675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-2.89

Polar Surface Area

46.424

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6188-0180 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 6188-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0180?
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What is the minimum amount of 6188-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0180
  • 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 6188-0180 available by request