D345-0094 Screening compound: 2-phenyl-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D345-0094
2-phenyl-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-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
D345-0094
Molecular Formula
C19H23N3O (C19 H23 N3 O)
Compound Name
2-phenyl-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
IUPAC name
2-phenyl-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
SMILES
O=C(Cc1ccccc1)N1CCN(CCc2ncccc2)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
309.41
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.939
Distribution Coefficient, logD
1.901
Water Solubility, LogSw
-1.82
Polar Surface Area
29.421
Acid Dissociation Constant (pKa)
18.21
Base Dissociation Constant (pKb)
6.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.80
D345-0094 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 compounds)
Immunological Library (6760 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Targeted Diversity Library (40567 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Immune system
- Nervous system
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Ion Channels
References: we are preparing a list of scientific research reports with D345-0094 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)