0682-0041 Screening compound: 2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde

0682-0041 Screening compound: 2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde
0682-0041 Screening compound: 2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0682-0041
2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde

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

0682-0041

Molecular Formula

C15H13NO5 (C15 H13 NO5)

Compound Name

2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde

IUPAC name

2-[2-(4-nitrophenoxy)ethoxy]benzaldehyde

SMILES

[O-][N+](c(cc1)ccc1OCCOc1c(C=O)cccc1)=O

InChI

InChI=1S/C15H13NO5/c17-11-12-3-1-2-4-15(12)21-10-9-20-14-7-5-13(6-8-14)16(18)19/h1-8,11H,9-10H2

InChI Key

LTDCPGJYBBEHIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01366105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.43

Polar Surface Area

62.430

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

0682-0041 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0682-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0682-0041?
Check Price and Availability of 0682-0041, 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 0682-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0682-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0682-0041
  • 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 0682-0041 available by request