E942-0023 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3,4,5-trimethoxyphenyl)urea

E942-0023 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3,4,5-trimethoxyphenyl)urea
E942-0023 Screening compound: 3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0023
3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3,4,5-trimethoxyphenyl)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

E942-0023

Molecular Formula

C23H27N3O5 (C23 H27 N3 O5)

Compound Name

3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-1-(3,4,5-trimethoxyphenyl)urea

IUPAC name

3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]-1-(345-trimethoxyphenyl)urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(Nc(cc1OC)cc(OC)c1OC)=O)C2=O

InChI

InChI=1S/C23H27N3O5/c1-14(2)12-26-13-18(16-8-6-7-9-17(16)22(26)27)25-23(28)24-15-10-19(29-3)21(31-5)20(11-15)30-4/h6-11,13-14H,12H2,1-5H3,(H2,24,25,28)

InChI Key

XQPVDYJZGYRAOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.336

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.79

Polar Surface Area

72.716

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E942-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0023?
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What is the minimum amount of E942-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0023
  • 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 E942-0023 available by request