E612-2209 Screening compound: 2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of ChemDiv screening compound E612-2209
2-{1-[4-(2-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
E612-2209
Molecular Formula
C21H22FN3O2 (C21 H22 FN3 O2)
Compound Name
2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-2,3-dihydro-1H-isoindol-1-one
IUPAC name
2-{1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-23-dihydro-1H-isoindol-1-one
SMILES
CC(C(N(CC1)CCN1c(cccc1)c1F)=O)N(Cc1c2cccc1)C2=O
InChI Key
MDL Number (MFCD)
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
2.657
Distribution Coefficient, logD
2.657
Water Solubility, LogSw
-3.27
Polar Surface Area
36.271
Acid Dissociation Constant (pKa)
21.95
Base Dissociation Constant (pKb)
4.64
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
E612-2209 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Aging Library (44940 compounds)
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Epigenetic
References: we are preparing a list of scientific research reports with E612-2209 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)