2196-0473 Screening compound: 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione

2196-0473 Screening compound: 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione
2196-0473 Screening compound: 3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2196-0473
3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-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

2196-0473

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-[(2-methoxyphenyl)methyl]-1-phenylpyrrolidine-25-dione

SMILES

COc1c(CC(CC(N2c3ccccc3)=O)C2=O)cccc1

InChI

InChI=1S/C18H17NO3/c1-22-16-10-6-5-7-13(16)11-14-12-17(20)19(18(14)21)15-8-3-2-4-9-15/h2-10,14H,11-12H2,1H3/t14-/m0/s1

InChI Key

MTSWAFKWRLHMQL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01542806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.50

Polar Surface Area

36.788

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2196-0473 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2196-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2196-0473?
Check Price and Availability of 2196-0473, 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 2196-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2196-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2196-0473
  • 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 2196-0473 available by request