C066-1360 Screening compound: N-(3,3-diethoxypropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C066-1360 Screening compound: N-(3,3-diethoxypropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C066-1360 Screening compound: N-(3,3-diethoxypropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1360
N-(3,3-diethoxypropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

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

C066-1360

Molecular Formula

C18H24N2O4 (C18 H24 N2 O4)

Compound Name

N-(3,3-diethoxypropyl)-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-(33-diethoxypropyl)-2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

CCOC(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)OCC

InChI

InChI=1S/C18H24N2O4/c1-3-23-17(24-4-2)9-11-19-16(21)13-20-12-10-14-7-5-6-8-15(14)18(20)22/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3,(H,19,21)

InChI Key

AEJNZNOCNQFWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

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

0.884

Distribution Coefficient, logD

0.884

Water Solubility, LogSw

-2.38

Polar Surface Area

54.920

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C066-1360 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C066-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1360?
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What is the minimum amount of C066-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1360
  • 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 C066-1360 available by request