C066-1027 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C066-1027 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C066-1027 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1027
N-[3-(4-methylpiperidin-1-yl)propyl]-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

C066-1027

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

CC1CCN(CCCNC(CN(C=Cc2c3cccc2)C3=O)=O)CC1

InChI

InChI=1S/C20H27N3O2/c1-16-7-12-22(13-8-16)11-4-10-21-19(24)15-23-14-9-17-5-2-3-6-18(17)20(23)25/h2-3,5-6,9,14,16H,4,7-8,10-13,15H2,1H3,(H,21,24)

InChI Key

NHOAVDUKPLSLCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

-0.946

Water Solubility, LogSw

-2.43

Polar Surface Area

43.977

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C066-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1027?
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What is the minimum amount of C066-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1027
  • 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 C066-1027 available by request