D727-0345 Screening compound: methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

D727-0345 Screening compound: methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate
D727-0345 Screening compound: methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0345
methyl 2-(1,3-dimethyl-2,6-dioxo-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

D727-0345

Molecular Formula

C10H12N4O4 (C10 H12 N4 O4)

Compound Name

methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate

IUPAC name

methyl 2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)acetate

SMILES

CN(c1c(C(N2C)=O)n(CC(OC)=O)cn1)C2=O

InChI

InChI=1S/C10H12N4O4/c1-12-8-7(9(16)13(2)10(12)17)14(5-11-8)4-6(15)18-3/h5H,4H2,1-3H3

InChI Key

OLVYPCHDIOWXLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01946179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.612

Distribution Coefficient, logD

-0.612

Water Solubility, LogSw

-0.49

Polar Surface Area

63.811

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D727-0345 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D727-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0345?
Check Price and Availability of D727-0345, 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 D727-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0345
  • 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 D727-0345 available by request