E942-0073 Screening compound: N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

E942-0073 Screening compound: N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
E942-0073 Screening compound: N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0073
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-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

E942-0073

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

IUPAC name

N-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-14-dioxa-8-azaspiro[4.5]decane-8-carboxamide

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(CC1)CCC11OCCO1)=O)C2=O

InChI

InChI=1S/C21H27N3O4/c1-15(2)13-24-14-18(16-5-3-4-6-17(16)19(24)25)22-20(26)23-9-7-21(8-10-23)27-11-12-28-21/h3-6,14-15H,7-13H2,1-2H3,(H,22,26)

InChI Key

RYVGYRMYXCOFSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.97

Polar Surface Area

57.341

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E942-0073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E942-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0073?
Check Price and Availability of E942-0073, 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 E942-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0073
  • 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 E942-0073 available by request