L558-1120 Screening compound: 1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

L558-1120 Screening compound: 1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
L558-1120 Screening compound: 1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L558-1120
1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

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

L558-1120

Molecular Formula

C25H25N7O3 (C25 H25 N7 O3)

Compound Name

1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

1-ethyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-7-phenyl-1H2H3H4H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

CCN(c(nc(-c1ccccc1)nc1)c1C(N1CC(N(CC2)CCN2c2ncccc2)=O)=O)C1=O

InChI

InChI=1S/C25H25N7O3/c1-2-31-23-19(16-27-22(28-23)18-8-4-3-5-9-18)24(34)32(25(31)35)17-21(33)30-14-12-29(13-15-30)20-10-6-7-11-26-20/h3-11,16H,2,12-15,17H2,1H3

InChI Key

LGZONYQKTLRDNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27461878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-3.05

Polar Surface Area

79.532

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L558-1120 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L558-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L558-1120?
Check Price and Availability of L558-1120, 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 L558-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L558-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L558-1120
  • 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 L558-1120 available by request