E942-0014 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0014 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0014 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0014
1-(3-chloro-4-methoxyphenyl)-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

E942-0014

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

1-(3-chloro-4-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

1-(3-chloro-4-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(Nc(cc1)cc(Cl)c1OC)=O)C2=O

InChI

InChI=1S/C21H22ClN3O3/c1-13(2)11-25-12-18(15-6-4-5-7-16(15)20(25)26)24-21(27)23-14-8-9-19(28-3)17(22)10-14/h4-10,12-13H,11H2,1-3H3,(H2,23,24,27)

InChI Key

UXBVYVCQDIFGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.63

Polar Surface Area

57.369

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with E942-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0014?
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What is the minimum amount of E942-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0014
  • 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 E942-0014 available by request