C428-0018 Screening compound: 2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

C428-0018 Screening compound: 2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
C428-0018 Screening compound: 2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C428-0018
2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic 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

C428-0018

Molecular Formula

C16H13NO4 (C16 H13 NO4)

Compound Name

2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

IUPAC name

2-(4-methoxyphenyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxylic acid

SMILES

COc(cc1)ccc1N(Cc1cccc(C(O)=O)c11)C1=O

InChI

InChI=1S/C16H13NO4/c1-21-12-7-5-11(6-8-12)17-9-10-3-2-4-13(16(19)20)14(10)15(17)18/h2-8H,9H2,1H3,(H,19,20)

InChI Key

YQWCYYGWDGXWFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08457199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

-1.542

Water Solubility, LogSw

-2.85

Polar Surface Area

52.391

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C428-0018 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C428-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C428-0018?
Check Price and Availability of C428-0018, 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 C428-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C428-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C428-0018
  • 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 C428-0018 available by request