C429-0016 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetic acid

C429-0016 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetic acid
C429-0016 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0016
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetic 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

C429-0016

Molecular Formula

C16H11NO4 (C16 H11 NO4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetic acid

IUPAC name

(2R)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetic acid

SMILES

OC(C(c1ccccc1)N(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C16H11NO4/c18-14-11-8-4-5-9-12(11)15(19)17(14)13(16(20)21)10-6-2-1-3-7-10/h1-9,13H,(H,20,21)/t13-/m1/s1

InChI Key

SYEYVZOVGXYKBL-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

-1.939

Water Solubility, LogSw

-2.84

Polar Surface Area

56.861

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-10.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

C429-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D Mimetics PPI Library (1617 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • 3D
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Others
  • GPCR

References: we are preparing a list of scientific research reports with C429-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0016?
Check Price and Availability of C429-0016, 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 C429-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0016
  • 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 C429-0016 available by request