C066-2983 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetic acid

C066-2983 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetic acid
C066-2983 Screening compound: 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2983
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetic 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

C066-2983

Molecular Formula

C13H13NO4 (C13 H13 NO4)

Compound Name

2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetic acid

IUPAC name

2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetic acid

SMILES

CCN(c(cccc1)c1C(OCC(O)=O)=C1)C1=O

InChI

InChI=1S/C13H13NO4/c1-2-14-10-6-4-3-5-9(10)11(7-12(14)15)18-8-13(16)17/h3-7H,2,8H2,1H3,(H,16,17)

InChI Key

KZTGTZUMOILBIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

-2.566

Water Solubility, LogSw

-2.14

Polar Surface Area

51.189

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C066-2983 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-2983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2983?
Check Price and Availability of C066-2983, 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 C066-2983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2983
  • 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 C066-2983 available by request