C054-0507 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline

C054-0507 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline
C054-0507 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C054-0507
5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline

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

C054-0507

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline

IUPAC name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-8-ethoxyquinoline

SMILES

CCOc(c1ncccc11)ccc1S(N1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C22H25N3O3S/c1-2-28-20-10-11-21(19-9-6-12-23-22(19)20)29(26,27)25-15-13-24(14-16-25)17-18-7-4-3-5-8-18/h3-12H,2,13-17H2,1H3

InChI Key

OMRZEVYJERGSOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.18

Polar Surface Area

52.233

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C054-0507 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool
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 C054-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C054-0507?
Check Price and Availability of C054-0507, 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 C054-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C054-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C054-0507
  • 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 C054-0507 available by request