C768-0042 Screening compound: ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-carboxylate

C768-0042 Screening compound: ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-carboxylate
C768-0042 Screening compound: ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-0042
ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-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

C768-0042

Molecular Formula

C25H26N2O4 (C25 H26 N2 O4)

Compound Name

ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(3-benzoyl-6-methoxyquinolin-4-yl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c1cc(OC)ccc1nc1)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C25H26N2O4/c1-3-31-25(29)18-11-13-27(14-12-18)23-20-15-19(30-2)9-10-22(20)26-16-21(23)24(28)17-7-5-4-6-8-17/h4-10,15-16,18H,3,11-14H2,1-2H3

InChI Key

YKPZGDZBDZTQSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.23

Polar Surface Area

53.706

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C768-0042 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C768-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-0042?
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What is the minimum amount of C768-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-0042
  • 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 C768-0042 available by request