C430-0017 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

C430-0017 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
C430-0017 Screening compound: 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0017
2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

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

C430-0017

Molecular Formula

C17H15NO3 (C17 H15 NO3)

Compound Name

2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

IUPAC name

(2S)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

SMILES

OC([C@H](Cc1ccccc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)11-18(16)15(17(20)21)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1

InChI Key

FZEBPJBRDFXKIH-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

-1.322

Water Solubility, LogSw

-2.97

Polar Surface Area

44.384

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

C430-0017 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C430-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0017?
Check Price and Availability of C430-0017, 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 C430-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0017
  • 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 C430-0017 available by request