E942-0032 Screening compound: N~1~-(2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-1-azepanecarboxamide

E942-0032 Screening compound: N~1~-(2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-1-azepanecarboxamide
E942-0032 Screening compound: N~1~-(2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-1-azepanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0032
N~1~-(2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-1-azepanecarboxamide

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

E942-0032

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N~1~-(2-isobutyl-1-oxo-1,2-dihydro-4-isoquinolinyl)-1-azepanecarboxamide

IUPAC name

n/a

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N1CCCCCC1)=O)C2=O

InChI

InChI=1S/C20H27N3O2/c1-15(2)13-23-14-18(16-9-5-6-10-17(16)19(23)24)21-20(25)22-11-7-3-4-8-12-22/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,21,25)

InChI Key

DQUYGCZALSTRDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.67

Polar Surface Area

43.235

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E942-0032 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E942-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0032?
Check Price and Availability of E942-0032, 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 E942-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0032
  • 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 E942-0032 available by request