5841-0161 Screening compound: 1'-(piperidine-1-carbonyl)-3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

5841-0161 Screening compound: 1'-(piperidine-1-carbonyl)-3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione
5841-0161 Screening compound: 1'-(piperidine-1-carbonyl)-3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5841-0161
1'-(piperidine-1-carbonyl)-3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

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

5841-0161

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

1'-(piperidine-1-carbonyl)-3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

IUPAC name

1'-(piperidine-1-carbonyl)-3'6'-dihydro-2'H-spiro[cyclopentane-15'-pyrrolo[21-a]isoquinoline]-2'3'-dione

SMILES

O=C(C(C1=O)=C(c2c(CC34CCCC4)cccc2)N3C1=O)N1CCCCC1

InChI

InChI=1S/C22H24N2O3/c25-19-17(20(26)23-12-6-1-7-13-23)18-16-9-3-2-8-15(16)14-22(10-4-5-11-22)24(18)21(19)27/h2-3,8-9H,1,4-7,10-14H2

InChI Key

XKNPEHRWLVAOSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.44

Polar Surface Area

46.212

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5841-0161 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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 5841-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5841-0161?
Check Price and Availability of 5841-0161, 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 5841-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5841-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5841-0161
  • 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 5841-0161 available by request