8011-2620 Screening compound: 5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid

8011-2620 Screening compound: 5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid
8011-2620 Screening compound: 5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2620
5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-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

8011-2620

Molecular Formula

C13H15NO4 (C13 H15 NO4)

Compound Name

5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid

IUPAC name

5-oxo-1-(2-phenoxyethyl)pyrrolidine-3-carboxylic acid

SMILES

OC(C(C1)CN(CCOc2ccccc2)C1=O)=O

InChI

InChI=1S/C13H15NO4/c15-12-8-10(13(16)17)9-14(12)6-7-18-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,17)/t10-/m1/s1

InChI Key

LLDMBHVTPHCTOT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02625749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.405

Distribution Coefficient, logD

-2.144

Water Solubility, LogSw

-1.31

Polar Surface Area

53.238

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8011-2620 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-2620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2620?
Check Price and Availability of 8011-2620, 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 8011-2620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2620
  • 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 8011-2620 available by request