E612-2181 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one

E612-2181 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
E612-2181 Screening compound: 2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-2181
2-{1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-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

E612-2181

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCN1c(cc1)ccc1F)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C21H22FN3O2/c1-15(25-14-16-4-2-3-5-19(16)21(25)27)20(26)24-12-10-23(11-13-24)18-8-6-17(22)7-9-18/h2-9,15H,10-14H2,1H3/t15-/m0/s1

InChI Key

OJOHOBVXSYJNPO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14903901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-3.18

Polar Surface Area

36.572

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E612-2181 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E612-2181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-2181?
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What is the minimum amount of E612-2181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-2181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-2181
  • 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 E612-2181 available by request