C509-0268 Screening compound: ethyl 1-(2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate

C509-0268 Screening compound: ethyl 1-(2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate
C509-0268 Screening compound: ethyl 1-(2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0268
ethyl 1-(2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate

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

C509-0268

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

ethyl 1-(2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{1H2H3H-cyclopenta[b]quinolin-9-ylsulfanyl}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CSc1c(CCC2)c2nc2ccccc12)=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-2-27-22(26)15-10-12-24(13-11-15)20(25)14-28-21-16-6-3-4-8-18(16)23-19-9-5-7-17(19)21/h3-4,6,8,15H,2,5,7,9-14H2,1H3

InChI Key

HQYGRDGACUVOGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.511

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.64

Polar Surface Area

47.231

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C509-0268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C509-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0268?
Check Price and Availability of C509-0268, 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 C509-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0268
  • 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 C509-0268 available by request