4420-0542 Screening compound: ethyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

4420-0542 Screening compound: ethyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate
4420-0542 Screening compound: ethyl 2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4420-0542
ethyl 2-({5-methyl-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

4420-0542

Molecular Formula

C14H14N4O2S (C14 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSc1nnc(c(cccc2)c2n2C)c2n1)=O

InChI

InChI=1S/C14H14N4O2S/c1-3-20-11(19)8-21-14-15-13-12(16-17-14)9-6-4-5-7-10(9)18(13)2/h4-7H,3,8H2,1-2H3

InChI Key

GETKLFGLJPYMMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-2.45

Polar Surface Area

54.219

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4420-0542 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 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:
  • 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 4420-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4420-0542?
Check Price and Availability of 4420-0542, 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 4420-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4420-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4420-0542
  • 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 4420-0542 available by request