2023-0541 Screening compound: 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline

2023-0541 Screening compound: 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline
2023-0541 Screening compound: 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0541
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline

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

2023-0541

Molecular Formula

C15H15ClN2O4 (C15 H15 ClN2 O4)

Compound Name

5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline

IUPAC name

5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-nitroaniline

SMILES

COc(cc1)ccc1OCCNc(cc(cc1)Cl)c1[N+]([O-])=O

InChI

InChI=1S/C15H15ClN2O4/c1-21-12-3-5-13(6-4-12)22-9-8-17-14-10-11(16)2-7-15(14)18(19)20/h2-7,10,17H,8-9H2,1H3

InChI Key

QZMYYCZPWYEOFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.66

Polar Surface Area

57.659

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2023-0541 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2023-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0541?
Check Price and Availability of 2023-0541, 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 2023-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0541
  • 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 2023-0541 available by request