L559-0645 Screening compound: ethyl 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate

L559-0645 Screening compound: ethyl 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetate
L559-0645 Screening compound: ethyl 2-[7-(4-chlorophenyl)-1-methyl-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 L559-0645
ethyl 2-[7-(4-chlorophenyl)-1-methyl-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

L559-0645

Molecular Formula

C17H15ClN4O4 (C17 H15 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(C(c1c(N2C)nc(-c(cc3)ccc3Cl)nc1)=O)C2=O)=O

InChI

InChI=1S/C17H15ClN4O4/c1-3-26-13(23)9-22-16(24)12-8-19-14(10-4-6-11(18)7-5-10)20-15(12)21(2)17(22)25/h4-8H,3,9H2,1-2H3

InChI Key

MWZDLQOLJRRPEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27462066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.78

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

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.44

Polar Surface Area

71.839

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

L559-0645 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with L559-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L559-0645?
Check Price and Availability of L559-0645, 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 L559-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L559-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L559-0645
  • 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 L559-0645 available by request