D047-0269 Screening compound: N1'-benzyl-[1,4'-bipiperidine]-1',4'-dicarboxamide

D047-0269 Screening compound: N1'-benzyl-[1,4'-bipiperidine]-1',4'-dicarboxamide
D047-0269 Screening compound: N1'-benzyl-[1,4'-bipiperidine]-1',4'-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0269
N1'-benzyl-[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

D047-0269

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

N1'-benzyl-[1,4'-bipiperidine]-1',4'-dicarboxamide

IUPAC name

N1'-benzyl-[14'-bipiperidine]-1'4'-dicarboxamide

SMILES

NC(C(CC1)(CCN1C(NCc1ccccc1)=O)N1CCCCC1)=O

InChI

InChI=1S/C19H28N4O2/c20-17(24)19(23-11-5-2-6-12-23)9-13-22(14-10-19)18(25)21-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,20,24)(H,21,25)

InChI Key

LMTJKSWLWMLFNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

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

1.580

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-1.82

Polar Surface Area

64.165

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D047-0269 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D047-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0269?
Check Price and Availability of D047-0269, 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 D047-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0269
  • 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 D047-0269 available by request