C224-1181 Screening compound: 8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline

C224-1181 Screening compound: 8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline
C224-1181 Screening compound: 8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-1181
8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline

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

C224-1181

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline

IUPAC name

8-[(4-benzylpiperidin-1-yl)sulfonyl]quinoline

SMILES

O=S(c1cccc2cccnc12)(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H22N2O2S/c24-26(25,20-10-4-8-19-9-5-13-22-21(19)20)23-14-11-18(12-15-23)16-17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-16H2

InChI Key

NRCBBYJQXGVZNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.06

Polar Surface Area

41.211

Acid Dissociation Constant (pKa)

25.46

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C224-1181 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 C224-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-1181?
Check Price and Availability of C224-1181, 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 C224-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-1181
  • 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 C224-1181 available by request