C053-0354 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(trifluoromethyl)quinoline-3-carboxylate

C053-0354 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(trifluoromethyl)quinoline-3-carboxylate
C053-0354 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(trifluoromethyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C053-0354
ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(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

C053-0354

Molecular Formula

C23H23F3N2O4 (C23 H23 F3 N2 O4)

Compound Name

ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-(trifluoromethyl)quinoline-3-carboxylate

IUPAC name

ethyl 4-{[2-(34-dimethoxyphenyl)ethyl]amino}-7-(trifluoromethyl)quinoline-3-carboxylate

SMILES

CCOC(c1cnc(cc(C(F)(F)F)cc2)c2c1NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H23F3N2O4/c1-4-32-22(29)17-13-28-18-12-15(23(24,25)26)6-7-16(18)21(17)27-10-9-14-5-8-19(30-2)20(11-14)31-3/h5-8,11-13H,4,9-10H2,1-3H3,(H,27,28)

InChI Key

FESHMODJYIPEQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.33

Polar Surface Area

53.786

Acid Dissociation Constant (pKa)

16.47

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C053-0354 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C053-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C053-0354?
Check Price and Availability of C053-0354, 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 C053-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C053-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C053-0354
  • 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 C053-0354 available by request