C618-0357 Screening compound: 1-(azepan-1-yl)-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one

C618-0357 Screening compound: 1-(azepan-1-yl)-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one
C618-0357 Screening compound: 1-(azepan-1-yl)-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0357
1-(azepan-1-yl)-2-[(6-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

C618-0357

Molecular Formula

C21H25ClN2OS (C21 H25 ClN2 OS)

Compound Name

1-(azepan-1-yl)-2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[(6-chloro-1234-tetrahydroacridin-9-yl)sulfanyl]ethan-1-one

SMILES

O=C(CSc1c(ccc(Cl)c2)c2nc2c1CCCC2)N1CCCCCC1

InChI

InChI=1S/C21H25ClN2OS/c22-15-9-10-17-19(13-15)23-18-8-4-3-7-16(18)21(17)26-14-20(25)24-11-5-1-2-6-12-24/h9-10,13H,1-8,11-12,14H2

InChI Key

ZPXWRMAZPPWKPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777291

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

5.511

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-5.99

Polar Surface Area

26.442

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C618-0357 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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 C618-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0357?
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What is the minimum amount of C618-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0357
  • 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 C618-0357 available by request