C561-0003 Screening compound: N-[(4-methylphenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

C561-0003 Screening compound: N-[(4-methylphenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
C561-0003 Screening compound: N-[(4-methylphenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0003
N-[(4-methylphenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

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

C561-0003

Molecular Formula

C24H22N2O2 (C24 H22 N2 O2)

Compound Name

N-[(4-methylphenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

IUPAC name

(2R)-N-[(4-methylphenyl)methyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

Cc1ccc(CNC(C(c2ccccc2)N(Cc2c3cccc2)C3=O)=O)cc1

InChI

InChI=1S/C24H22N2O2/c1-17-11-13-18(14-12-17)15-25-23(27)22(19-7-3-2-4-8-19)26-16-20-9-5-6-10-21(20)24(26)28/h2-14,22H,15-16H2,1H3,(H,25,27)/t22-/m1/s1

InChI Key

LCXKHHMBEZBKKP-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-3.93

Polar Surface Area

40.425

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C561-0003 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0003?
Check Price and Availability of C561-0003, 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 C561-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0003
  • 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 C561-0003 available by request