E942-0146 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0146 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0146 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0146
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]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

E942-0146

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NCCc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C22H24ClN3O2/c1-15(2)13-26-14-20(18-5-3-4-6-19(18)21(26)27)25-22(28)24-12-11-16-7-9-17(23)10-8-16/h3-10,14-15H,11-13H2,1-2H3,(H2,24,25,28)

InChI Key

NBORDABFEIFAKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.48

Polar Surface Area

50.902

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E942-0146 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E942-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0146?
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What is the minimum amount of E942-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0146
  • 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 E942-0146 available by request