L559-0861 Screening compound: ethyl 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate

L559-0861 Screening compound: ethyl 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate
L559-0861 Screening compound: ethyl 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L559-0861
ethyl 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-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

L559-0861

Molecular Formula

C18H18N4O4 (C18 H18 N4 O4)

Compound Name

ethyl 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate

IUPAC name

ethyl 2-[1-methyl-7-(4-methylphenyl)-24-dioxo-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetate

SMILES

CCOC(CN(C(c1c(N2C)nc(-c3ccc(C)cc3)nc1)=O)C2=O)=O

InChI

InChI=1S/C18H18N4O4/c1-4-26-14(23)10-22-17(24)13-9-19-15(12-7-5-11(2)6-8-12)20-16(13)21(3)18(22)25/h5-9H,4,10H2,1-3H3

InChI Key

XZEHGNPXYNLLLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-2.77

Polar Surface Area

71.839

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L559-0861 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L559-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0861?
Check Price and Availability of L559-0861, 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 L559-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0861
  • 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 L559-0861 available by request