C509-0789 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one

C509-0789 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
C509-0789 Screening compound: 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0789
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(3,5-dimethylpiperidin-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

C509-0789

Molecular Formula

C22H27ClN2OS (C22 H27 ClN2 OS)

Compound Name

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[(7-chloro-1234-tetrahydroacridin-9-yl)sulfanyl]-1-(35-dimethylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC(C)C1)CN1C(CSc1c(cc(cc2)Cl)c2nc2c1CCCC2)=O

InChI

InChI=1S/C22H27ClN2OS/c1-14-9-15(2)12-25(11-14)21(26)13-27-22-17-5-3-4-6-19(17)24-20-8-7-16(23)10-18(20)22/h7-8,10,14-15H,3-6,9,11-13H2,1-2H3

InChI Key

VLOPORLNUKQYAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.99

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

5.817

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.96

Polar Surface Area

25.978

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

C509-0789 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C509-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0789?
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What is the minimum amount of C509-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0789
  • 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 C509-0789 available by request