G721-0019 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0019 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0019 Screening compound: 1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]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 G721-0019
1,3-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]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

G721-0019

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

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

IUPAC name

13-dimethyl-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-(propan-2-yl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

CC(C)c(c(SCC(N1CCC(C)CC1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C20H28N4O3S/c1-12(2)14-10-21-18-16(19(26)23(5)20(27)22(18)4)17(14)28-11-15(25)24-8-6-13(3)7-9-24/h10,12-13H,6-9,11H2,1-5H3

InChI Key

UZFHKQFJFVNGAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

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

2.955

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.22

Polar Surface Area

57.883

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G721-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G721-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G721-0019?
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What is the minimum amount of G721-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0019
  • 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 G721-0019 available by request