S466-0198 Screening compound: 1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2-methyl-5,6,7,8-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-10(1H)-one

S466-0198 Screening compound: 1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2-methyl-5,6,7,8-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-10(1H)-one
S466-0198 Screening compound: 1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2-methyl-5,6,7,8-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-10(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0198
1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2-methyl-5,6,7,8-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-10(1H)-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

S466-0198

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-2-methyl-5,6,7,8-tetrahydropyrido[1,2-a]pyrrolo[3,2-d]pyrimidin-10(1H)-one

IUPAC name

5-methyl-4-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-148-triazatricyclo[7.4.0.0^{37}]trideca-3(7)58-trien-2-one

SMILES

Cc1cc(N=C(CCCC2)N2C2=O)c2n1CC(N(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C22H24N4O2/c1-15-13-17-21(22(28)25-11-5-4-10-19(25)23-17)26(15)14-20(27)24-12-6-8-16-7-2-3-9-18(16)24/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3

InChI Key

LGULCIOZZPQMGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

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

2.064

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-2.47

Polar Surface Area

43.008

Acid Dissociation Constant (pKa)

20.01

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S466-0198 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S466-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0198?
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What is the minimum amount of S466-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0198
  • 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 S466-0198 available by request