3453-2380 Screening compound: ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

3453-2380 Screening compound: ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate
3453-2380 Screening compound: ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-2380
ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-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

3453-2380

Molecular Formula

C13H10F3NO3 (C13 H10 F3 NO3)

Compound Name

ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c1cnc(c(C(F)(F)F)ccc2)c2c1O)=O

InChI

InChI=1S/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)

InChI Key

XSNJFNKOHAUNPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00173387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.390

Water Solubility, LogSw

-3.30

Polar Surface Area

46.094

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3453-2380 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3453-2380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-2380?
Check Price and Availability of 3453-2380, 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 3453-2380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-2380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-2380
  • 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 3453-2380 available by request