8018-6454 Screening compound: 4-oxo-4-(3-pyridyl)butanoic acid

8018-6454 Screening compound: 4-oxo-4-(3-pyridyl)butanoic acid
8018-6454 Screening compound: 4-oxo-4-(3-pyridyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6454
4-oxo-4-(3-pyridyl)butanoic 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

8018-6454

Molecular Formula

C9H9NO3 (C9 H9 NO3)

Compound Name

4-oxo-4-(3-pyridyl)butanoic acid

IUPAC name

4-oxo-4-(pyridin-3-yl)butanoic acid

SMILES

OC(CCC(c1cnccc1)=O)=O

InChI

InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)

InChI Key

JGSUNMCABQUBOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00870737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.162

Distribution Coefficient, logD

-2.598

Water Solubility, LogSw

-0.52

Polar Surface Area

51.387

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8018-6454 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-6454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6454?
Check Price and Availability of 8018-6454, 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 8018-6454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6454
  • 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 8018-6454 available by request