C053-0491 Screening compound: ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}quinoline-3-carboxylate

C053-0491 Screening compound: ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}quinoline-3-carboxylate
C053-0491 Screening compound: ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C053-0491
ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}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

C053-0491

Molecular Formula

C19H25N3O4 (C19 H25 N3 O4)

Compound Name

ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}quinoline-3-carboxylate

IUPAC name

ethyl 8-methoxy-4-{[2-(morpholin-4-yl)ethyl]amino}quinoline-3-carboxylate

SMILES

CCOC(c(cnc(c1ccc2)c2OC)c1NCCN1CCOCC1)=O

InChI

InChI=1S/C19H25N3O4/c1-3-26-19(23)15-13-21-18-14(5-4-6-16(18)24-2)17(15)20-7-8-22-9-11-25-12-10-22/h4-6,13H,3,7-12H2,1-2H3,(H,20,21)

InChI Key

AUXHIDJIZHHLDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.879

Distribution Coefficient, logD

1.791

Water Solubility, LogSw

-2.46

Polar Surface Area

58.817

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C053-0491 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C053-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C053-0491?
Check Price and Availability of C053-0491, 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 C053-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C053-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C053-0491
  • 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 C053-0491 available by request