8009-4440 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-5-ethyl-1,3-diazinane-2,4,6-trione

8009-4440 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-5-ethyl-1,3-diazinane-2,4,6-trione
8009-4440 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-5-ethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4440
5-{[1,1'-biphenyl]-4-yl}-5-ethyl-1,3-diazinane-2,4,6-trione

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

8009-4440

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

5-{[1,1'-biphenyl]-4-yl}-5-ethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[11'-biphenyl]-4-yl}-5-ethyl-13-diazinane-246-trione

SMILES

CCC(c(cc1)ccc1-c1ccccc1)(C(NC(N1)=O)=O)C1=O

InChI

InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)

InChI Key

XWZIZWWEAJZAMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.53

Polar Surface Area

62.372

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-7.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8009-4440 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Annotated Library (21441 compounds)

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

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-4440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4440?
Check Price and Availability of 8009-4440, 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 8009-4440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4440
  • 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 8009-4440 available by request