H025-0064 Screening compound: 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
Chemical Structure Depiction of ChemDiv screening compound H025-0064
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
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
H025-0064
Molecular Formula
C32H39NO4 (C32 H39 NO4)
Compound Name
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
IUPAC name
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
SMILES
CC(C)(C(O)=O)c1ccc(C(CCCN(CC2)CCC2C(c2ccccc2)(c2ccccc2)O)O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
501.67
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.601
Distribution Coefficient, logD
4.601
Water Solubility, LogSw
-4.04
Polar Surface Area
63.035
Acid Dissociation Constant (pKa)
4.79
Base Dissociation Constant (pKb)
9.17
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.60
H025-0064 in Drug Discovery
Included in Screening Libraries
CNS targets activity set (6557 compounds)
DGK Inhibitors Library (10558 compounds)
Dark Chemical Matter Library (18430 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Ion Channels Annotated Library (353 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Ion Channels Focused Library (26372 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Nervous system
- Nervous system
- Cardiovascular
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Ion Channels
- Ion Channels
- Phosphatases
- Pool
References: we are preparing a list of scientific research reports with H025-0064 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)