D226-0005 Screening compound: ethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

D226-0005 Screening compound: ethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate
D226-0005 Screening compound: ethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0005
ethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

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

D226-0005

Molecular Formula

C15H21N5O4 (C15 H21 N5 O4)

Compound Name

ethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]acetate

IUPAC name

ethyl 2-[3-methyl-26-dioxo-8-(piperidin-1-yl)-2367-tetrahydro-1H-purin-7-yl]acetate

SMILES

CCOC(Cn1c(N2CCCCC2)nc(N(C)C(N2)=O)c1C2=O)=O

InChI

InChI=1S/C15H21N5O4/c1-3-24-10(21)9-20-11-12(18(2)15(23)17-13(11)22)16-14(20)19-7-5-4-6-8-19/h3-9H2,1-2H3,(H,17,22,23)

InChI Key

ROBUPFGQFAOOEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.730

Distribution Coefficient, logD

1.730

Water Solubility, LogSw

-2.23

Polar Surface Area

75.042

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D226-0005 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0005?
Check Price and Availability of D226-0005, 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 D226-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0005
  • 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 D226-0005 available by request