G721-0023 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0023 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0023 Screening compound: 1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0023
1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

G721-0023

Molecular Formula

C23H26N4O3S (C23 H26 N4 O3 S)

Compound Name

1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CC(C)c(c(SCC(N(CCC1)c2c1cccc2)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C23H26N4O3S/c1-14(2)16-12-24-21-19(22(29)26(4)23(30)25(21)3)20(16)31-13-18(28)27-11-7-9-15-8-5-6-10-17(15)27/h5-6,8,10,12,14H,7,9,11,13H2,1-4H3

InChI Key

HLQRNEPFBRUUSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-3.94

Polar Surface Area

56.547

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G721-0023 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G721-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0023?
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What is the minimum amount of G721-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0023
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0023
  • 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 G721-0023 available by request