8009-5084 Screening compound: ethyl 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate

8009-5084 Screening compound: ethyl 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate
8009-5084 Screening compound: ethyl 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5084
ethyl 2-({5-propyl-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

8009-5084

Molecular Formula

C16H18N4O2S (C16 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c2nc(SCC(OCC)=O)nnc2c2c1cccc2

InChI

InChI=1S/C16H18N4O2S/c1-3-9-20-12-8-6-5-7-11(12)14-15(20)17-16(19-18-14)23-10-13(21)22-4-2/h5-8H,3-4,9-10H2,1-2H3

InChI Key

WCXLIVSVYCFWCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.46

Polar Surface Area

53.387

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8009-5084 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 8009-5084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5084?
Check Price and Availability of 8009-5084, 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 8009-5084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5084
  • 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 8009-5084 available by request