8011-9780 Screening compound: 5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

8011-9780 Screening compound: 5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
8011-9780 Screening compound: 5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9780
5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-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

8011-9780

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-13-diazinane-246-trione

SMILES

CCc(cc1)ccc1N(C(C(Cc(cc1)ccc1OCC)C(N1)=O)=O)C1=O

InChI

InChI=1S/C21H22N2O4/c1-3-14-5-9-16(10-6-14)23-20(25)18(19(24)22-21(23)26)13-15-7-11-17(12-8-15)27-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,22,24,26)/t18-/m1/s1

InChI Key

YOJVLLAPQLGQGQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02019294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

-1.161

Water Solubility, LogSw

-3.41

Polar Surface Area

60.514

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8011-9780 in Drug Discovery

Included in Screening Libraries

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

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8011-9780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9780?
Check Price and Availability of 8011-9780, 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 8011-9780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9780
  • 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 8011-9780 available by request