C561-0310 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

C561-0310 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
C561-0310 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0310
N-(2H-1,3-benzodioxol-5-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

C561-0310

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

(2S)-N-(2H-13-benzodioxol-5-yl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(Cc1c2cccc1)C2=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H20N2O4/c27-23(25-18-10-11-21-22(13-18)30-15-29-21)20(12-16-6-2-1-3-7-16)26-14-17-8-4-5-9-19(17)24(26)28/h1-11,13,20H,12,14-15H2,(H,25,27)/t20-/m0/s1

InChI Key

ZLVHRTQXNOYBNT-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.41

Polar Surface Area

56.183

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C561-0310 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0310?
Check Price and Availability of C561-0310, 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 C561-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0310
  • 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 C561-0310 available by request