2063-0431 Screening compound: 1-(2,5-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

2063-0431 Screening compound: 1-(2,5-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
2063-0431 Screening compound: 1-(2,5-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2063-0431
1-(2,5-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-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

2063-0431

Molecular Formula

C21H23NO2 (C21 H23 NO2)

Compound Name

1-(2,5-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

IUPAC name

1-(25-dimethylphenyl)-3-methyl-4-[(4-methylphenyl)methyl]pyrrolidine-25-dione

SMILES

CC(C(Cc1ccc(C)cc1)C(N1c2c(C)ccc(C)c2)=O)C1=O

InChI

InChI=1S/C21H23NO2/c1-13-6-9-17(10-7-13)12-18-16(4)20(23)22(21(18)24)19-11-14(2)5-8-15(19)3/h5-11,16,18H,12H2,1-4H3

InChI Key

VTAWQGRYTHWZEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.36

Polar Surface Area

28.579

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2063-0431 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2063-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2063-0431?
Check Price and Availability of 2063-0431, 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 2063-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2063-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2063-0431
  • 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 2063-0431 available by request