C066-3221 Screening compound: 1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}ethan-1-one

C066-3221 Screening compound: 1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}ethan-1-one
C066-3221 Screening compound: 1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3221
1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-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

C066-3221

Molecular Formula

C23H25ClN2O (C23 H25 ClN2 O)

Compound Name

1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-3-yl}ethan-1-one

SMILES

O=C(Cc1cn(Cc2cccc(Cl)c2)c2c1cccc2)N1CCCCCC1

InChI

InChI=1S/C23H25ClN2O/c24-20-9-7-8-18(14-20)16-26-17-19(21-10-3-4-11-22(21)26)15-23(27)25-12-5-1-2-6-13-25/h3-4,7-11,14,17H,1-2,5-6,12-13,15-16H2

InChI Key

CEFLYWLOGMIBCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.83

Polar Surface Area

18.422

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C066-3221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 C066-3221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3221?
Check Price and Availability of C066-3221, 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 C066-3221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3221
  • 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 C066-3221 available by request