0495-0108 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

0495-0108 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
0495-0108 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0108
3-(1,3-dioxo-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

0495-0108

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

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

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid

SMILES

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

InChI

InChI=1S/C17H13NO4/c19-15(20)10-14(11-6-2-1-3-7-11)18-16(21)12-8-4-5-9-13(12)17(18)22/h1-9,14H,10H2,(H,19,20)/t14-/m0/s1

InChI Key

VXNFNYYAZGURGL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00408358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

-0.136

Water Solubility, LogSw

-3.00

Polar Surface Area

56.801

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.80

0495-0108 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0495-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0108?
Check Price and Availability of 0495-0108, 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 0495-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0108
  • 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 0495-0108 available by request