2896-0781 Screening compound: (5Z)-1-(3-methylphenyl)-5-{[2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

2896-0781 Screening compound: (5Z)-1-(3-methylphenyl)-5-{[2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
2896-0781 Screening compound: (5Z)-1-(3-methylphenyl)-5-{[2-(2-phenoxyethoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2896-0781
(5Z)-1-(3-methylphenyl)-5-{[2-(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

2896-0781

Molecular Formula

C26H22N2O5 (C26 H22 N2 O5)

Compound Name

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

IUPAC name

(5Z)-1-(3-methylphenyl)-5-{[2-(2-phenoxyethoxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C\c(cccc3)c3OCCOc3ccccc3)=O)C2=O)c1

InChI

InChI=1S/C26H22N2O5/c1-18-8-7-10-20(16-18)28-25(30)22(24(29)27-26(28)31)17-19-9-5-6-13-23(19)33-15-14-32-21-11-3-2-4-12-21/h2-13,16-17H,14-15H2,1H3,(H,27,29,31)

InChI Key

LFURPYXEGPXQPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.34

Polar Surface Area

68.041

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 2896-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2896-0781?
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What is the minimum amount of 2896-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2896-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2896-0781
  • 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 2896-0781 available by request