5695-0939 Screening compound: ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}-8-(trifluoromethyl)quinoline-3-carboxylate

5695-0939 Screening compound: ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}-8-(trifluoromethyl)quinoline-3-carboxylate
5695-0939 Screening compound: ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}-8-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0939
ethyl 4-{[3-(ethoxycarbonyl)phenyl]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

5695-0939

Molecular Formula

C22H19F3N2O4 (C22 H19 F3 N2 O4)

Compound Name

ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}-8-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-{[3-(ethoxycarbonyl)phenyl]amino}-8-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c1cccc(Nc2c(cccc3C(F)(F)F)c3ncc2C(OCC)=O)c1)=O

InChI

InChI=1S/C22H19F3N2O4/c1-3-30-20(28)13-7-5-8-14(11-13)27-18-15-9-6-10-17(22(23,24)25)19(15)26-12-16(18)21(29)31-4-2/h5-12H,3-4H2,1-2H3,(H,26,27)

InChI Key

XDFMZJVYJOGIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.70

Polar Surface Area

58.885

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5695-0939 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0939?
Check Price and Availability of 5695-0939, 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 5695-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0939
  • 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 5695-0939 available by request