5823-0167 Screening compound: 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]acetic acid

5823-0167 Screening compound: 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]acetic acid
5823-0167 Screening compound: 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5823-0167
2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]acetic 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

5823-0167

Molecular Formula

C13H12N2O5 (C13 H12 N2 O5)

Compound Name

2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]acetic acid

IUPAC name

2-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]acetic acid

SMILES

OC(CNC(CCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C13H12N2O5/c16-10(14-7-11(17)18)5-6-15-12(19)8-3-1-2-4-9(8)13(15)20/h1-4H,5-7H2,(H,14,16)(H,17,18)

InChI Key

AKSVIMQNEDDJLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.630

Distribution Coefficient, logD

-4.516

Water Solubility, LogSw

-2.11

Polar Surface Area

82.597

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5823-0167 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5823-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5823-0167?
Check Price and Availability of 5823-0167, 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 5823-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5823-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5823-0167
  • 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 5823-0167 available by request