8013-9676 Screening compound: 5-{[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

8013-9676 Screening compound: 5-{[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
8013-9676 Screening compound: 5-{[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9676
5-{[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

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

8013-9676

Molecular Formula

C24H20N2O5 (C24 H20 N2 O5)

Compound Name

5-{[3-ethoxy-4-(1-naphthylmethoxy)phenyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

5-({3-ethoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-13-diazinane-246-trione

SMILES

CCOc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OCc1cccc2ccccc12

InChI

InChI=1S/C24H20N2O5/c1-2-30-21-13-15(12-19-22(27)25-24(29)26-23(19)28)10-11-20(21)31-14-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,2,14H2,1H3,(H2,25,26,27,28,29)

InChI Key

CMPOQGKJUKZWNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

2.840

Water Solubility, LogSw

-3.65

Polar Surface Area

76.896

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-9676 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8013-9676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9676?
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What is the minimum amount of 8013-9676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9676
  • 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 8013-9676 available by request