0233-0067 Screening compound: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline

0233-0067 Screening compound: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline
0233-0067 Screening compound: N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0233-0067
N-(4-methoxyphenyl)-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

0233-0067

Molecular Formula

C14H11F3N2O3 (C14 H11 F3 N2 O3)

Compound Name

N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline

IUPAC name

N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline

SMILES

COc(cc1)ccc1Nc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O

InChI

InChI=1S/C14H11F3N2O3/c1-22-11-5-3-10(4-6-11)18-12-7-2-9(14(15,16)17)8-13(12)19(20)21/h2-8,18H,1H3

InChI Key

ZRUDCDLVWYLZRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00584308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.75

Polar Surface Area

49.077

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0233-0067 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0233-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0233-0067?
Check Price and Availability of 0233-0067, 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 0233-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0233-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0233-0067
  • 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 0233-0067 available by request