E942-0128 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0128 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0128 Screening compound: 1-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0128
1-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-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

E942-0128

Molecular Formula

C23H26ClN3O4 (C23 H26 ClN3 O4)

Compound Name

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

IUPAC name

1-(5-chloro-24-dimethoxyphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(N(C)c(c(OC)c1)cc(Cl)c1OC)=O)C2=O

InChI

InChI=1S/C23H26ClN3O4/c1-14(2)12-27-13-18(15-8-6-7-9-16(15)22(27)28)25-23(29)26(3)19-10-17(24)20(30-4)11-21(19)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,29)

InChI Key

RCHOEPVULXKTCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.64

Polar Surface Area

56.585

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E942-0128 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E942-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0128?
Check Price and Availability of E942-0128, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E942-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0128
  • 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 E942-0128 available by request