D226-0022 Screening compound: 7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0022 Screening compound: 7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0022 Screening compound: 7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0022
7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-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

D226-0022

Molecular Formula

C13H19N5O3 (C13 H19 N5 O3)

Compound Name

7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(2-hydroxyethyl)-3-methyl-8-(piperidin-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(CCO)c(N3CCCCC3)n1)C2=O

InChI

InChI=1S/C13H19N5O3/c1-16-10-9(11(20)15-13(16)21)18(7-8-19)12(14-10)17-5-3-2-4-6-17/h19H,2-8H2,1H3,(H,15,20,21)

InChI Key

GKUOUFUSSSHVKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00230480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.988

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-1.63

Polar Surface Area

71.517

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

D226-0022 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Proteases
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0022?
Check Price and Availability of D226-0022, 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 D226-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0022
  • 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 D226-0022 available by request