2958-7521 Screening compound: (5Z)-5-[(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

2958-7521 Screening compound: (5Z)-5-[(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
2958-7521 Screening compound: (5Z)-5-[(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7521
(5Z)-5-[(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-(4-methoxyphenyl)-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

2958-7521

Molecular Formula

C31H32N2O8 (C31 H32 N2 O8)

Compound Name

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

IUPAC name

(5Z)-5-[(3-ethoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)methylidene]-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

CCOc(cc(/C=C(/C(NC(N1c(cc2)ccc2OC)=O)=O)\C1=O)cc1)c1OCCOCCOc1ccc(C)cc1

InChI

InChI=1S/C31H32N2O8/c1-4-39-28-20-22(7-14-27(28)41-18-16-38-15-17-40-25-10-5-21(2)6-11-25)19-26-29(34)32-31(36)33(30(26)35)23-8-12-24(37-3)13-9-23/h5-14,19-20H,4,15-18H2,1-3H3,(H,32,34,36)

InChI Key

MOWCESNQGBHNFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.99

Polar Surface Area

91.067

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

2958-7521 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 2958-7521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7521?
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What is the minimum amount of 2958-7521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7521
  • 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 2958-7521 available by request