E942-0013 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0013 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0013 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0013
1-(3-chloro-4-fluorophenyl)-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

E942-0013

Molecular Formula

C20H19ClFN3O2 (C20 H19 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(Nc(cc1)cc(Cl)c1F)=O)C2=O

InChI

InChI=1S/C20H19ClFN3O2/c1-12(2)10-25-11-18(14-5-3-4-6-15(14)19(25)26)24-20(27)23-13-7-8-17(22)16(21)9-13/h3-9,11-12H,10H2,1-2H3,(H2,23,24,27)

InChI Key

NRZJKDSJMYAZOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.86

Polar Surface Area

49.738

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E942-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0013?
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What is the minimum amount of E942-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0013
  • 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 E942-0013 available by request