2958-7480 Screening compound: 5-({4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

2958-7480 Screening compound: 5-({4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
2958-7480 Screening compound: 5-({4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2958-7480
5-({4-[2-(4-nitrophenoxy)ethoxy]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

2958-7480

Molecular Formula

C19H15N3O7 (C19 H15 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1OCCOc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C19H15N3O7/c23-17-16(18(24)21-19(25)20-17)11-12-1-5-14(6-2-12)28-9-10-29-15-7-3-13(4-8-15)22(26)27/h1-8,11H,9-10H2,(H2,20,21,23,24,25)

InChI Key

TWWWKARYNOLSAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

1.926

Water Solubility, LogSw

-2.83

Polar Surface Area

110.589

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2958-7480 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2958-7480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2958-7480?
Check Price and Availability of 2958-7480, 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 2958-7480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2958-7480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2958-7480
  • 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 2958-7480 available by request