C066-1346 Screening compound: N-(3,3-diethoxypropyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1346 Screening compound: N-(3,3-diethoxypropyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1346 Screening compound: N-(3,3-diethoxypropyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1346
N-(3,3-diethoxypropyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

C066-1346

Molecular Formula

C21H30N2O6 (C21 H30 N2 O6)

Compound Name

N-(3,3-diethoxypropyl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(33-diethoxypropyl)-2-ethyl-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(NCCC(OCC)OCC)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C21H30N2O6/c1-6-23-13-16(20(24)22-10-9-19(28-7-2)29-8-3)14-11-17(26-4)18(27-5)12-15(14)21(23)25/h11-13,19H,6-10H2,1-5H3,(H,22,24)

InChI Key

AKBBEABZPBAKKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-2.04

Polar Surface Area

70.638

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with C066-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1346?
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What is the minimum amount of C066-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1346
  • 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 C066-1346 available by request