2958-7331 Screening compound: 5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

2958-7331 Screening compound: 5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
2958-7331 Screening compound: 5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7331
5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-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

2958-7331

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CCOc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OCCOc1ccccc1

InChI

InChI=1S/C21H20N2O6/c1-2-27-18-13-14(12-16-19(24)22-21(26)23-20(16)25)8-9-17(18)29-11-10-28-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3,(H2,22,23,24,25,26)

InChI Key

ONYVKRFKTXPPIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.99

Polar Surface Area

84.504

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2958-7331 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 2958-7331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7331?
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What is the minimum amount of 2958-7331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7331
  • 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 2958-7331 available by request