8011-4498 Screening compound: 3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid

8011-4498 Screening compound: 3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid
8011-4498 Screening compound: 3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4498
3-(5-phenyl-1H-pyrrol-2-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

8011-4498

Molecular Formula

C13H13NO2 (C13 H13 NO2)

Compound Name

3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid

IUPAC name

3-(5-phenyl-1H-pyrrol-2-yl)propanoic acid

SMILES

OC(CCc1ccc(-c2ccccc2)[nH]1)=O

InChI

InChI=1S/C13H13NO2/c15-13(16)9-7-11-6-8-12(14-11)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H,15,16)

InChI Key

RSKVDNXGAFVGIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

-0.457

Water Solubility, LogSw

-2.64

Polar Surface Area

38.480

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8011-4498 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8011-4498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4498?
Check Price and Availability of 8011-4498, 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 8011-4498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4498
  • 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 8011-4498 available by request