2896-0779 Screening compound: (5Z)-5-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

2896-0779 Screening compound: (5Z)-5-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
2896-0779 Screening compound: (5Z)-5-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2896-0779
(5Z)-5-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-(3-methylphenyl)-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

2896-0779

Molecular Formula

C27H24N2O6 (C27 H24 N2 O6)

Compound Name

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

IUPAC name

(5Z)-5-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C\c(cc3)cc(OC)c3OCCOc3ccccc3)=O)C2=O)c1

InChI

InChI=1S/C27H24N2O6/c1-18-7-6-8-20(15-18)29-26(31)22(25(30)28-27(29)32)16-19-11-12-23(24(17-19)33-2)35-14-13-34-21-9-4-3-5-10-21/h3-12,15-17H,13-14H2,1-2H3,(H,28,30,32)

InChI Key

HXRFUGUANPTARN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-4.13

Polar Surface Area

75.672

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

2896-0779 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2896-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2896-0779?
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What is the minimum amount of 2896-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2896-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2896-0779
  • 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 2896-0779 available by request