8017-9369 Screening compound: 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid

8017-9369 Screening compound: 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid
8017-9369 Screening compound: 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9369
5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic 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

8017-9369

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid

IUPAC name

5-oxo-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxylic acid

SMILES

OC(C(C1)CN(Cc2ccncc2)C1=O)=O

InChI

InChI=1S/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)/t9-/m1/s1

InChI Key

BCJSOSLBUXFEGE-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.253

Distribution Coefficient, logD

-3.802

Water Solubility, LogSw

-0.89

Polar Surface Area

55.270

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8017-9369 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-9369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9369?
Check Price and Availability of 8017-9369, 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 8017-9369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9369
  • 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 8017-9369 available by request