F070-0445 Screening compound: N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

F070-0445 Screening compound: N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide
F070-0445 Screening compound: N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F070-0445
N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

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

F070-0445

Molecular Formula

C23H23F3N4O (C23 H23 F3 N4 O)

Compound Name

N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

IUPAC name

N-(1-phenylethyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

SMILES

CC(c1ccccc1)NC(C(CC1)CCN1c1nc2ccccc2nc1C(F)(F)F)=O

InChI

InChI=1S/C23H23F3N4O/c1-15(16-7-3-2-4-8-16)27-22(31)17-11-13-30(14-12-17)21-20(23(24,25)26)28-18-9-5-6-10-19(18)29-21/h2-10,15,17H,11-14H2,1H3,(H,27,31)/t15-/m0/s1

InChI Key

HWXLAYNHZQTUMS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27098543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.13

Polar Surface Area

44.904

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F070-0445 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F070-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F070-0445?
Check Price and Availability of F070-0445, 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 F070-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F070-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F070-0445
  • 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 F070-0445 available by request