E679-0453 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

E679-0453 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
E679-0453 Screening compound: 1-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0453
1-[2-(4-chlorophenyl)ethyl]-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

E679-0453

Molecular Formula

C19H18ClN3O2 (C19 H18 ClN3 O2)

Compound Name

1-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

IUPAC name

1-[2-(4-chlorophenyl)ethyl]-3-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)urea

SMILES

CN(C=C(c1c2cccc1)NC(NCCc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C19H18ClN3O2/c1-23-12-17(15-4-2-3-5-16(15)18(23)24)22-19(25)21-11-10-13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H2,21,22,25)

InChI Key

SNGUATUSRRGELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

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

2.383

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-3.53

Polar Surface Area

50.617

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E679-0453 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E679-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0453?
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What is the minimum amount of E679-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0453
  • 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 E679-0453 available by request