E612-0146 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,3-dihydro-1H-isoindol-1-one

E612-0146 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,3-dihydro-1H-isoindol-1-one
E612-0146 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0146
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-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

E612-0146

Molecular Formula

C26H24FN3O2 (C26 H24 FN3 O2)

Compound Name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl}-23-dihydro-1H-isoindol-1-one

SMILES

O=C(C(c1ccccc1)N(Cc1c2cccc1)C2=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C26H24FN3O2/c27-22-12-6-7-13-23(22)28-14-16-29(17-15-28)26(32)24(19-8-2-1-3-9-19)30-18-20-10-4-5-11-21(20)25(30)31/h1-13,24H,14-18H2/t24-/m1/s1

InChI Key

DMCJQXBFHMUQTR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14903331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.37

Polar Surface Area

35.619

Acid Dissociation Constant (pKa)

20.43

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E612-0146 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0146?
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What is the minimum amount of E612-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0146
  • 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 E612-0146 available by request