C509-0241 Screening compound: 2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide

C509-0241 Screening compound: 2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide
C509-0241 Screening compound: 2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0241
2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide

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

C509-0241

Molecular Formula

C21H20N2O2S (C21 H20 N2 O2 S)

Compound Name

2-{1H,2H,3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide

IUPAC name

2-{1H2H3H-cyclopenta[b]quinolin-9-ylsulfanyl}-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(CSc1c(CCC2)c2nc2ccccc12)=O

InChI

InChI=1S/C21H20N2O2S/c1-25-19-12-5-4-10-18(19)23-20(24)13-26-21-14-7-2-3-9-16(14)22-17-11-6-8-15(17)21/h2-5,7,9-10,12H,6,8,11,13H2,1H3,(H,23,24)

InChI Key

HEOWVIJUWOXGDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.30

Polar Surface Area

40.167

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C509-0241 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 C509-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0241?
Check Price and Availability of C509-0241, 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 C509-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0241
  • 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 C509-0241 available by request