3506-0121 Screening compound: 4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine

3506-0121 Screening compound: 4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine
3506-0121 Screening compound: 4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0121
4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine

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

3506-0121

Molecular Formula

C18H26N2O3S (C18 H26 N2 O3 S)

Compound Name

4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine

IUPAC name

4-methyl-1-[3-(piperidine-1-sulfonyl)benzoyl]piperidine

SMILES

CC(CC1)CCN1C(c1cccc(S(N2CCCCC2)(=O)=O)c1)=O

InChI

InChI=1S/C18H26N2O3S/c1-15-8-12-19(13-9-15)18(21)16-6-5-7-17(14-16)24(22,23)20-10-3-2-4-11-20/h5-7,14-15H,2-4,8-13H2,1H3

InChI Key

FKUQJROUQOSXJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01203105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.78

Polar Surface Area

48.598

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

3506-0121 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 3506-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0121?
Check Price and Availability of 3506-0121, 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 3506-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0121
  • 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 3506-0121 available by request