C509-0781 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one

C509-0781 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one
C509-0781 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C509-0781
1-(4-benzylpiperazin-1-yl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]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

C509-0781

Molecular Formula

C26H28ClN3OS (C26 H28 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1c(cc(cc2)Cl)c2nc2c1CCCC2)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H28ClN3OS/c27-20-10-11-24-22(16-20)26(21-8-4-5-9-23(21)28-24)32-18-25(31)30-14-12-29(13-15-30)17-19-6-2-1-3-7-19/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17-18H2

InChI Key

FLCAWBBMFDEJBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-5.65

Polar Surface Area

29.652

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C509-0781 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 C509-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C509-0781?
Check Price and Availability of C509-0781, 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 C509-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C509-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C509-0781
  • 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 C509-0781 available by request