8011-9985 Screening compound: 1-benzylpyrrolidine-2-carboxylic acid

8011-9985 Screening compound: 1-benzylpyrrolidine-2-carboxylic acid
8011-9985 Screening compound: 1-benzylpyrrolidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9985
1-benzylpyrrolidine-2-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

8011-9985

Molecular Formula

C12H15NO2 (C12 H15 NO2)

Compound Name

1-benzylpyrrolidine-2-carboxylic acid

IUPAC name

(2S)-1-benzylpyrrolidine-2-carboxylic acid

SMILES

OC(C1N(Cc2ccccc2)CCC1)=O

InChI

InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1

InChI Key

XNROFTAJEGCDCT-NSHDSACASA-N

MDL Number (MFCD)

MFCD00235894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.097

Distribution Coefficient, logD

-1.598

Water Solubility, LogSw

-1.59

Polar Surface Area

32.605

Acid Dissociation Constant (pKa)

2.84

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

8011-9985 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-9985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9985?
Check Price and Availability of 8011-9985, 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 8011-9985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9985
  • 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 8011-9985 available by request