4282-0051 Screening compound: 3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

4282-0051 Screening compound: 3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione
4282-0051 Screening compound: 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 4282-0051
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

4282-0051

Molecular Formula

C16H15NO2 (C16 H15 NO2)

Compound Name

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

IUPAC name

3'6'-dihydro-2'H-spiro[cyclopentane-15'-pyrrolo[21-a]isoquinoline]-2'3'-dione

SMILES

O=C(C=C1N2C3(CCCC3)Cc3c1cccc3)C2=O

InChI

InChI=1S/C16H15NO2/c18-14-9-13-12-6-2-1-5-11(12)10-16(7-3-4-8-16)17(13)15(14)19/h1-2,5-6,9H,3-4,7-8,10H2

InChI Key

WRWCGFKBQSCTEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-2.80

Polar Surface Area

29.250

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4282-0051 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4282-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4282-0051?
Check Price and Availability of 4282-0051, 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 4282-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4282-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4282-0051
  • 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 4282-0051 available by request