D226-0021 Screening compound: ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate

D226-0021 Screening compound: ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
D226-0021 Screening compound: ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0021
ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-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

D226-0021

Molecular Formula

C21H25N5O5 (C21 H25 N5 O5)

Compound Name

ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate

IUPAC name

ethyl 2-[7-benzyl-3-methyl-8-(morpholin-4-yl)-26-dioxo-2367-tetrahydro-1H-purin-1-yl]acetate

SMILES

CCOC(CN(C(c(n1Cc2ccccc2)c(N2C)nc1N1CCOCC1)=O)C2=O)=O

InChI

InChI=1S/C21H25N5O5/c1-3-31-16(27)14-26-19(28)17-18(23(2)21(26)29)22-20(24-9-11-30-12-10-24)25(17)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3

InChI Key

KITXTXILHFQTGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.135

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.40

Polar Surface Area

73.999

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D226-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D226-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0021?
Check Price and Availability of D226-0021, 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 D226-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0021
  • 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 D226-0021 available by request