5695-0950 Screening compound: ethyl 4-[(4-hydroxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

5695-0950 Screening compound: ethyl 4-[(4-hydroxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate
5695-0950 Screening compound: ethyl 4-[(4-hydroxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0950
ethyl 4-[(4-hydroxyphenyl)amino]-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

5695-0950

Molecular Formula

C19H15F3N2O3 (C19 H15 F3 N2 O3)

Compound Name

ethyl 4-[(4-hydroxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-[(4-hydroxyphenyl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c1cnc(c(C(F)(F)F)ccc2)c2c1Nc(cc1)ccc1O)=O

InChI

InChI=1S/C19H15F3N2O3/c1-2-27-18(26)14-10-23-17-13(4-3-5-15(17)19(20,21)22)16(14)24-11-6-8-12(25)9-7-11/h3-10,25H,2H2,1H3,(H,23,24)

InChI Key

AGFGSSCWBKHSCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.05

Polar Surface Area

55.749

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

5695-0950 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5695-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0950?
Check Price and Availability of 5695-0950, 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 5695-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0950
  • 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 5695-0950 available by request