C509-0747 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

C509-0747 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
C509-0747 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0747
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

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

C509-0747

Molecular Formula

C21H25ClN2OS (C21 H25 ClN2 OS)

Compound Name

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[(7-chloro-1234-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSc1c(cc(cc2)Cl)c2nc2c1CCCC2)=O

InChI

InChI=1S/C21H25ClN2OS/c1-14-8-10-24(11-9-14)20(25)13-26-21-16-4-2-3-5-18(16)23-19-7-6-15(22)12-17(19)21/h6-7,12,14H,2-5,8-11,13H2,1H3

InChI Key

YEMWPGBNPZKLSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-5.63

Polar Surface Area

26.111

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C509-0747 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C509-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0747?
Check Price and Availability of C509-0747, 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 C509-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0747
  • 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 C509-0747 available by request