C561-0096 Screening compound: N-(3-acetylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

C561-0096 Screening compound: N-(3-acetylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
C561-0096 Screening compound: N-(3-acetylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0096
N-(3-acetylphenyl)-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

C561-0096

Molecular Formula

C25H22N2O3 (C25 H22 N2 O3)

Compound Name

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

IUPAC name

(2S)-N-(3-acetylphenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

CC(c1cccc(NC(C(Cc2ccccc2)N(Cc2c3cccc2)C3=O)=O)c1)=O

InChI

InChI=1S/C25H22N2O3/c1-17(28)19-11-7-12-21(15-19)26-24(29)23(14-18-8-3-2-4-9-18)27-16-20-10-5-6-13-22(20)25(27)30/h2-13,15,23H,14,16H2,1H3,(H,26,29)/t23-/m0/s1

InChI Key

AUFJBHHGZUAROY-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.29

Polar Surface Area

52.894

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C561-0096 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C561-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0096?
Check Price and Availability of C561-0096, 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 C561-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0096
  • 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 C561-0096 available by request