E612-0934 Screening compound: 2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-2,3-dihydro-1H-isoindol-1-one

E612-0934 Screening compound: 2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-2,3-dihydro-1H-isoindol-1-one
E612-0934 Screening compound: 2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0934
2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-2,3-dihydro-1H-isoindol-1-one

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

E612-0934

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}-23-dihydro-1H-isoindol-1-one

SMILES

CC(C)CC(C(N(CC1)CCN1c1ncccc1)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C23H28N4O2/c1-17(2)15-20(27-16-18-7-3-4-8-19(18)22(27)28)23(29)26-13-11-25(12-14-26)21-9-5-6-10-24-21/h3-10,17,20H,11-16H2,1-2H3/t20-/m0/s1

InChI Key

CPQDZYIRYSBNLR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14903579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.52

Polar Surface Area

44.667

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

E612-0934 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E612-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0934?
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What is the minimum amount of E612-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0934
  • 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 E612-0934 available by request