Y042-2866 Screening compound: 4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid

Y042-2866 Screening compound: 4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid
Y042-2866 Screening compound: 4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2866
4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic 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

Y042-2866

Molecular Formula

C15H11NO3 (C15 H11 NO3)

Compound Name

4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid

IUPAC name

4-(1-oxo-23-dihydro-1H-isoindol-2-yl)benzoic acid

SMILES

OC(c(cc1)ccc1N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C15H11NO3/c17-14-13-4-2-1-3-11(13)9-16(14)12-7-5-10(6-8-12)15(18)19/h1-8H,9H2,(H,18,19)

InChI Key

YIUFFQLXXYMULO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01014224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

0.336

Water Solubility, LogSw

-3.07

Polar Surface Area

44.847

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y042-2866 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y042-2866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2866?
Check Price and Availability of Y042-2866, 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 Y042-2866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2866
  • 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 Y042-2866 available by request