1611-0407 Screening compound: 4-nitro-3-(trifluoromethyl)aniline

1611-0407 Screening compound: 4-nitro-3-(trifluoromethyl)aniline
1611-0407 Screening compound: 4-nitro-3-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0407
4-nitro-3-(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

1611-0407

Molecular Formula

C7H5F3N2O2 (C7 H5 F3 N2 O2)

Compound Name

4-nitro-3-(trifluoromethyl)aniline

IUPAC name

4-nitro-3-(trifluoromethyl)aniline

SMILES

Nc(cc1)cc(C(F)(F)F)c1[N+]([O-])=O

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2

InChI Key

UTKUVRNVYFTEHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00014717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.922

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.58

Polar Surface Area

54.125

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1611-0407 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1611-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0407?
Check Price and Availability of 1611-0407, 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 1611-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0407
  • 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 1611-0407 available by request