E612-0974 Screening compound: 2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2,3-dihydro-1H-isoindol-1-one

E612-0974 Screening compound: 2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2,3-dihydro-1H-isoindol-1-one
E612-0974 Screening compound: 2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0974
2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-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

E612-0974

Molecular Formula

C24H28FN3O2 (C24 H28 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H28FN3O2/c1-17(2)15-22(28-16-18-7-3-4-8-19(18)23(28)29)24(30)27-13-11-26(12-14-27)21-10-6-5-9-20(21)25/h3-10,17,22H,11-16H2,1-2H3/t22-/m0/s1

InChI Key

KVBSAHUSEQNHQJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14903601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.24

Polar Surface Area

35.855

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E612-0974 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E612-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0974?
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What is the minimum amount of E612-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0974
  • 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 E612-0974 available by request