C066-0687 Screening compound: 3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

C066-0687 Screening compound: 3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
C066-0687 Screening compound: 3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0687
3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

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

C066-0687

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

IUPAC name

3-(4-ethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1234-tetrahydroisoquinoline-4-carboxylic acid

SMILES

CCOc1ccc(C(C(C(O)=O)c2c3cccc2)N(CCN2CCOCC2)C3=O)cc1

InChI

InChI=1S/C24H28N2O5/c1-2-31-18-9-7-17(8-10-18)22-21(24(28)29)19-5-3-4-6-20(19)23(27)26(22)12-11-25-13-15-30-16-14-25/h3-10,21-22H,2,11-16H2,1H3,(H,28,29)

InChI Key

BPLQQECAZCKOIZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

-0.626

Water Solubility, LogSw

-2.75

Polar Surface Area

63.052

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C066-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0687?
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What is the minimum amount of C066-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0687
  • 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 C066-0687 available by request