G721-0165 Screening compound: 6-butyl-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

G721-0165 Screening compound: 6-butyl-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
G721-0165 Screening compound: 6-butyl-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G721-0165
6-butyl-1,3-dimethyl-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-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

G721-0165

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(c(SCC(N1CCCCC1)=O)c1C(N2C)=O)cnc1N(C)C2=O

InChI

InChI=1S/C20H28N4O3S/c1-4-5-9-14-12-21-18-16(19(26)23(3)20(27)22(18)2)17(14)28-13-15(25)24-10-7-6-8-11-24/h12H,4-11,13H2,1-3H3

InChI Key

OTSDGNYZBOBXPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08326345

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.24

Polar Surface Area

57.883

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G721-0165 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G721-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G721-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G721-0165
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G721-0165
  • 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 G721-0165 available by request