2612-0862 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline

2612-0862 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline
2612-0862 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2612-0862
N-[3-(morpholin-4-yl)propyl]-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

2612-0862

Molecular Formula

C14H18F3N3O3 (C14 H18 F3 N3 O3)

Compound Name

N-[3-(morpholin-4-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline

IUPAC name

N-[3-(morpholin-4-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1NCCCN1CCOCC1)=O

InChI

InChI=1S/C14H18F3N3O3/c15-14(16,17)11-2-3-12(13(10-11)20(21)22)18-4-1-5-19-6-8-23-9-7-19/h2-3,10,18H,1,4-9H2

InChI Key

IJESDSHRKACZEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932451

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

333.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.609

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-3.01

Polar Surface Area

54.588

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

2612-0862 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 2612-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2612-0862?
Check Price and Availability of 2612-0862, 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 2612-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2612-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2612-0862
  • 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 2612-0862 available by request