3578-0895 Screening compound: 3-[(4-methylphenyl)methyl]-1-(pyridin-2-yl)pyrrolidine-2,5-dione

3578-0895 Screening compound: 3-[(4-methylphenyl)methyl]-1-(pyridin-2-yl)pyrrolidine-2,5-dione
3578-0895 Screening compound: 3-[(4-methylphenyl)methyl]-1-(pyridin-2-yl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3578-0895
3-[(4-methylphenyl)methyl]-1-(pyridin-2-yl)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

3578-0895

Molecular Formula

C17H16N2O2 (C17 H16 N2 O2)

Compound Name

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

IUPAC name

3-[(4-methylphenyl)methyl]-1-(pyridin-2-yl)pyrrolidine-25-dione

SMILES

Cc1ccc(CC(CC(N2c3ncccc3)=O)C2=O)cc1

InChI

InChI=1S/C17H16N2O2/c1-12-5-7-13(8-6-12)10-14-11-16(20)19(17(14)21)15-4-2-3-9-18-15/h2-9,14H,10-11H2,1H3/t14-/m0/s1

InChI Key

OKZNJNJHAWNNLX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02229894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.606

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-2.61

Polar Surface Area

37.669

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

3578-0895 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 3578-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3578-0895?
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What is the minimum amount of 3578-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3578-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3578-0895
  • 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 3578-0895 available by request