8006-8025 Screening compound: N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline

8006-8025 Screening compound: N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
8006-8025 Screening compound: N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8025
N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)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

8006-8025

Molecular Formula

C16H15F3N2O3 (C16 H15 F3 N2 O3)

Compound Name

N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline

IUPAC name

N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline

SMILES

Cc(cc1)ccc1OCCNc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C16H15F3N2O3/c1-11-2-5-13(6-3-11)24-9-8-20-14-7-4-12(16(17,18)19)10-15(14)21(22)23/h2-7,10,20H,8-9H2,1H3

InChI Key

URNIAGQVUXFYIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.17

Polar Surface Area

50.115

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8006-8025 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8025?
Check Price and Availability of 8006-8025, 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 8006-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8025
  • 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 8006-8025 available by request