D047-0165 Screening compound: N1'-[4-(trifluoromethyl)phenyl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

D047-0165 Screening compound: N1'-[4-(trifluoromethyl)phenyl]-[1,4'-bipiperidine]-1',4'-dicarboxamide
D047-0165 Screening compound: N1'-[4-(trifluoromethyl)phenyl]-[1,4'-bipiperidine]-1',4'-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0165
N1'-[4-(trifluoromethyl)phenyl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

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

D047-0165

Molecular Formula

C19H25F3N4O2 (C19 H25 F3 N4 O2)

Compound Name

N1'-[4-(trifluoromethyl)phenyl]-[1,4'-bipiperidine]-1',4'-dicarboxamide

IUPAC name

N1'-[4-(trifluoromethyl)phenyl]-[14'-bipiperidine]-1'4'-dicarboxamide

SMILES

NC(C(CC1)(CCN1C(Nc1ccc(C(F)(F)F)cc1)=O)N1CCCCC1)=O

InChI

InChI=1S/C19H25F3N4O2/c20-19(21,22)14-4-6-15(7-5-14)24-17(28)25-12-8-18(9-13-25,16(23)27)26-10-2-1-3-11-26/h4-7H,1-3,8-13H2,(H2,23,27)(H,24,28)

InChI Key

OFRJQDBHZHTTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-3.47

Polar Surface Area

62.843

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D047-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D047-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0165?
Check Price and Availability of D047-0165, 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 D047-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0165
  • 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 D047-0165 available by request