5607-0050 Screening compound: 1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane
Chemical Structure Depiction of ChemDiv screening compound 5607-0050
1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane
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
5607-0050
Molecular Formula
C18H25FN2O (C18 H25 FN2 O)
Compound Name
1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane
IUPAC name
1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane
SMILES
O=C(c(cccc1)c1F)N(CC1)CCC1N1CCCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HOOCCOOH
Molecular Weight
304.41
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.082
Distribution Coefficient, logD
-0.332
Water Solubility, LogSw
-3.35
Polar Surface Area
20.311
Acid Dissociation Constant (pKa)
27.90
Base Dissociation Constant (pKb)
10.81
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
61.11
5607-0050 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Soluble Diversity Library (15920 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 5607-0050 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)