C067-0071 Screening compound: N-butyl-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C067-0071 Screening compound: N-butyl-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C067-0071 Screening compound: N-butyl-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C067-0071
N-butyl-2-(3-methyl-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

C067-0071

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

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

IUPAC name

N-butyl-2-(3-methyl-1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

CCCCNC(CN(C(C)=Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C16H20N2O2/c1-3-4-9-17-15(19)11-18-12(2)10-13-7-5-6-8-14(13)16(18)20/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,19)

InChI Key

SBZCNNQMNXSDQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-3.09

Polar Surface Area

39.740

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C067-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C067-0071?
Check Price and Availability of C067-0071, 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 C067-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C067-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C067-0071
  • 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 C067-0071 available by request