E942-0337 Screening compound: 3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

E942-0337 Screening compound: 3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
E942-0337 Screening compound: 3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E942-0337
3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[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

E942-0337

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea

IUPAC name

3-[2-methyl-1-(thiophen-2-yl)propyl]-1-[2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]urea

SMILES

CC(C)CN(C=C(c1c2cccc1)NC(NC(C(C)C)c1cccs1)=O)C2=O

InChI

InChI=1S/C22H27N3O2S/c1-14(2)12-25-13-18(16-8-5-6-9-17(16)21(25)26)23-22(27)24-20(15(3)4)19-10-7-11-28-19/h5-11,13-15,20H,12H2,1-4H3,(H2,23,24,27)/t20-/m0/s1

InChI Key

LVUGUQUVBQLHAK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14929019

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

397.54

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

4.033

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.21

Polar Surface Area

51.431

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E942-0337 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GABA Library (7115 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E942-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E942-0337?
Check Price and Availability of E942-0337, 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 E942-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E942-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E942-0337
  • 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 E942-0337 available by request