E942-0356 Screening compound: 1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea

E942-0356 Screening compound: 1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea
E942-0356 Screening compound: 1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0356
1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea

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

E942-0356

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea

IUPAC name

1-[(furan-2-yl)methyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-1-(1-phenylethyl)urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(Cc1ccco1)C(C)c1ccccc1)=O)C2=O

InChI

InChI=1S/C27H29N3O3/c1-19(2)16-29-18-25(23-13-7-8-14-24(23)26(29)31)28-27(32)30(17-22-12-9-15-33-22)20(3)21-10-5-4-6-11-21/h4-15,18-20H,16-17H2,1-3H3,(H,28,32)/t20-/m0/s1

InChI Key

IZWMALNDRCHIEN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14929029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.00

Polar Surface Area

49.308

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E942-0356 in Drug Discovery

Included in Screening Libraries

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

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 E942-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0356?
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What is the minimum amount of E942-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0356
  • 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 E942-0356 available by request