D345-0035 Screening compound: 2-(2-chlorophenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D345-0035
2-(2-chlorophenoxy)-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
D345-0035
Molecular Formula
C19H22ClN3O2 (C19 H22 ClN3 O2)
Compound Name
2-(2-chlorophenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
IUPAC name
2-(2-chlorophenoxy)-1-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethan-1-one
SMILES
O=C(COc(cccc1)c1Cl)N1CCN(CCc2ncccc2)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HCl
Molecular Weight
359.86
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.836
Distribution Coefficient, logD
1.800
Water Solubility, LogSw
-2.29
Polar Surface Area
37.007
Acid Dissociation Constant (pKa)
25.23
Base Dissociation Constant (pKb)
6.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.80
D345-0035 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- Nervous system
- Immune system
- GPCR
- Ion Channels
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with D345-0035 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)