E679-0379 Screening compound: 1-(2-ethoxyphenyl)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

E679-0379 Screening compound: 1-(2-ethoxyphenyl)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
E679-0379 Screening compound: 1-(2-ethoxyphenyl)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0379
1-(2-ethoxyphenyl)-3-(2-methyl-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

E679-0379

Molecular Formula

C19H19N3O3 (C19 H19 N3 O3)

Compound Name

1-(2-ethoxyphenyl)-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

IUPAC name

1-(2-ethoxyphenyl)-3-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)urea

SMILES

CCOc(cccc1)c1NC(NC(c1c2cccc1)=CN(C)C2=O)=O

InChI

InChI=1S/C19H19N3O3/c1-3-25-17-11-7-6-10-15(17)20-19(24)21-16-12-22(2)18(23)14-9-5-4-8-13(14)16/h4-12H,3H2,1-2H3,(H2,20,21,24)

InChI Key

SEGKPAUWMZUOTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-3.18

Polar Surface Area

55.966

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E679-0379 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E679-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0379?
Check Price and Availability of E679-0379, 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 E679-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0379
  • 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 E679-0379 available by request