2958-7504 Screening compound: (5Z)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

2958-7504 Screening compound: (5Z)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
2958-7504 Screening compound: (5Z)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7504
(5Z)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]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

2958-7504

Molecular Formula

C28H25N3O8 (C28 H25 N3 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(NC(N1c2cc(C)ccc2)=O)=O)\C1=O)cc1)c1OCCOc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C28H25N3O8/c1-3-37-25-17-19(7-12-24(25)39-14-13-38-22-10-8-20(9-11-22)31(35)36)16-23-26(32)29-28(34)30(27(23)33)21-6-4-5-18(2)15-21/h4-12,15-17H,3,13-14H2,1-2H3,(H,29,32,34)

InChI Key

JFZSQRCHYJVIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.22

Polar Surface Area

108.633

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

2958-7504 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 2958-7504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7504?
Check Price and Availability of 2958-7504, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2958-7504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7504
  • 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 2958-7504 available by request