F726-0330 Screening compound: 2-(4-fluorophenyl)-4-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine
Chemical Structure Depiction of ChemDiv screening compound F726-0330
2-(4-fluorophenyl)-4-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine
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
F726-0330
Molecular Formula
C22H27FN4O (C22 H27 FN4 O)
Compound Name
2-(4-fluorophenyl)-4-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine
IUPAC name
2-(4-fluorophenyl)-4-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine
SMILES
CC(CC1)CCN1C(C(CCC1)CN1c1ccnc(-c(cc2)ccc2F)n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
382.48
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
3.888
Distribution Coefficient, logD
3.886
Water Solubility, LogSw
-3.93
Polar Surface Area
38.468
Acid Dissociation Constant (pKa)
22.50
Base Dissociation Constant (pKb)
4.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
F726-0330 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with F726-0330 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)