0242-0587 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid

0242-0587 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid
0242-0587 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0587
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic 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

0242-0587

Molecular Formula

C14H11N3O4 (C14 H11 N3 O4)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid

SMILES

OC(C(Cc1cnc[nH]1)N(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C14H11N3O4/c18-12-9-3-1-2-4-10(9)13(19)17(12)11(14(20)21)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,20,21)/t11-/m0/s1

InChI Key

CTUUVOUXZNQMSU-NSHDSACASA-N

MDL Number (MFCD)

MFCD00412015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.307

Distribution Coefficient, logD

-3.850

Water Solubility, LogSw

-1.70

Polar Surface Area

78.618

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

0242-0587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Neuropeptide S Library (2850 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0242-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0587?
Check Price and Availability of 0242-0587, 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 0242-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0587
  • 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 0242-0587 available by request