3553-0884 Screening compound: N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide

3553-0884 Screening compound: N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide
3553-0884 Screening compound: N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-0884
N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide

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

3553-0884

Molecular Formula

C27H30N2O (C27 H30 N2 O)

Compound Name

N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide

IUPAC name

N-benzyl-4-[(4-benzylpiperidin-1-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)NCc1ccccc1

InChI

InChI=1S/C27H30N2O/c30-27(28-20-24-9-5-2-6-10-24)26-13-11-25(12-14-26)21-29-17-15-23(16-18-29)19-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,28,30)

InChI Key

QLTRKOGBHRURAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02135634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.167

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-5.51

Polar Surface Area

28.113

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3553-0884 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 3553-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-0884?
Check Price and Availability of 3553-0884, 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 3553-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-0884
  • 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 3553-0884 available by request