8006-6935 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline

8006-6935 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline
8006-6935 Screening compound: N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-(pyrrolidin-1-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6935
N-[2-(4-chlorophenoxy)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

8006-6935

Molecular Formula

C18H20ClN3O3 (C18 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(ccc(N1CCCC1)c1)c1NCCOc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H20ClN3O3/c19-14-3-6-16(7-4-14)25-12-9-20-17-13-15(21-10-1-2-11-21)5-8-18(17)22(23)24/h3-8,13,20H,1-2,9-12H2

InChI Key

NDWUCCKQJBLNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.79

Polar Surface Area

53.933

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8006-6935 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-6935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6935?
Check Price and Availability of 8006-6935, 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 8006-6935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6935
  • 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 8006-6935 available by request