C768-0855 Screening compound: ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-3-carboxylate

C768-0855 Screening compound: ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-3-carboxylate
C768-0855 Screening compound: ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-0855
ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-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

C768-0855

Molecular Formula

C27H30N2O5 (C27 H30 N2 O5)

Compound Name

ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[3-(4-ethoxybenzoyl)-6-methoxyquinolin-4-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c(c1cc(OC)ccc1nc1)c1C(c(cc1)ccc1OCC)=O)=O

InChI

InChI=1S/C27H30N2O5/c1-4-33-20-10-8-18(9-11-20)26(30)23-16-28-24-13-12-21(32-3)15-22(24)25(23)29-14-6-7-19(17-29)27(31)34-5-2/h8-13,15-16,19H,4-7,14,17H2,1-3H3/t19-/m0/s1

InChI Key

AERSTIRWFNETPO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14792697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.996

Distribution Coefficient, logD

4.994

Water Solubility, LogSw

-4.59

Polar Surface Area

60.763

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C768-0855 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C768-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-0855?
Check Price and Availability of C768-0855, 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 C768-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-0855
  • 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 C768-0855 available by request