E679-0583 Screening compound: 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

E679-0583 Screening compound: 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
E679-0583 Screening compound: 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0583
1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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

E679-0583

Molecular Formula

C25H30ClN5O2 (C25 H30 ClN5 O2)

Compound Name

1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea

IUPAC name

1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-3-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)urea

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CCCNC(NC(c2c3cccc2)=CN(C)C3=O)=O)CC1

InChI

InChI=1S/C25H30ClN5O2/c1-18-8-9-19(26)16-23(18)31-14-12-30(13-15-31)11-5-10-27-25(33)28-22-17-29(2)24(32)21-7-4-3-6-20(21)22/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H2,27,28,33)

InChI Key

MOONAUXSRWHXAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-3.65

Polar Surface Area

57.559

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with E679-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0583?
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What is the minimum amount of E679-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0583
  • 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 E679-0583 available by request