2023-0545 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline

2023-0545 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
2023-0545 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2023-0545
N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline

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

2023-0545

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline

IUPAC name

N-[2-(4-methoxyphenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline

SMILES

COc(cc1)ccc1OCCNc(cc(cc1)N2CCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C19H23N3O4/c1-25-16-5-7-17(8-6-16)26-13-10-20-18-14-15(21-11-2-3-12-21)4-9-19(18)22(23)24/h4-9,14,20H,2-3,10-13H2,1H3

InChI Key

LZBRNZMKKKGKFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.41

Polar Surface Area

61.477

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

2023-0545 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2023-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2023-0545?
Check Price and Availability of 2023-0545, 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 2023-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2023-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2023-0545
  • 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 2023-0545 available by request