G003-0503 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

G003-0503 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
G003-0503 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0503
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

G003-0503

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(56-diethyl-124-triazin-3-yl)sulfanyl]-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CCc1nc(SCC(N(CCC2)c3c2cccc3)=O)nnc1CC

InChI

InChI=1S/C18H22N4OS/c1-3-14-15(4-2)20-21-18(19-14)24-12-17(23)22-11-7-9-13-8-5-6-10-16(13)22/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3

InChI Key

HLICOIUSROUHPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.250

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-3.43

Polar Surface Area

47.976

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G003-0503 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 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
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G003-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0503?
Check Price and Availability of G003-0503, 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 G003-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0503
  • 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 G003-0503 available by request