2683-0091 Screening compound: ethyl 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

2683-0091 Screening compound: ethyl 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate
2683-0091 Screening compound: ethyl 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2683-0091
ethyl 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

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

2683-0091

Molecular Formula

C15H16N4O2S (C15 H16 N4 O2 S)

Compound Name

ethyl 2-({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({5-ethyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetate

SMILES

CCn1c2nc(SCC(OCC)=O)nnc2c2c1cccc2

InChI

InChI=1S/C15H16N4O2S/c1-3-19-11-8-6-5-7-10(11)13-14(19)16-15(18-17-13)22-9-12(20)21-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

JRHMKANULVPHHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-2.98

Polar Surface Area

53.133

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2683-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 2683-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0091?
Check Price and Availability of 2683-0091, 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 2683-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0091
  • 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 2683-0091 available by request