2595-1027 Screening compound: ethyl 6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

2595-1027 Screening compound: ethyl 6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
2595-1027 Screening compound: ethyl 6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1027
ethyl 6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

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

2595-1027

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

ethyl 6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

IUPAC name

ethyl 6-methyl-4-oxo-14-dihydroquinoline-3-carboxylate

SMILES

CCOC(C1=CNc(ccc(C)c2)c2C1=O)=O

InChI

InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-5-4-8(2)6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)

InChI Key

WRHXUGRUTJJRQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

1.847

Water Solubility, LogSw

-2.86

Polar Surface Area

45.111

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

2595-1027 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 2595-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1027?
Check Price and Availability of 2595-1027, 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 2595-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1027
  • 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 2595-1027 available by request