8013-1275 Screening compound: 3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpiperidin-4-ol
Chemical Structure Depiction of ChemDiv screening compound 8013-1275
3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpiperidin-4-ol
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
8013-1275
Molecular Formula
C19H19Cl2NO2 (C19 H19 Cl2 NO2)
Compound Name
3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpiperidin-4-ol
IUPAC name
3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylpiperidin-4-ol
SMILES
CN(CCC1(c(cc2)ccc2Cl)O)CC1C(c(cc1)ccc1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
364.27
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.851
Distribution Coefficient, logD
3.364
Water Solubility, LogSw
-4.32
Polar Surface Area
32.035
Acid Dissociation Constant (pKa)
15.21
Base Dissociation Constant (pKb)
7.72
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
31.60
8013-1275 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
DGK Inhibitors Library (10558 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Ion Channels Focused Library (26372 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Nervous system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Nervous system
- Cardiovascular
- Agro
- Agro
- Kinases
- GPCR
- Ion Channels
- Ion Channels
- Epigenetic
References: we are preparing a list of scientific research reports with 8013-1275 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)