C470-0123 Screening compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Chemical Structure Depiction of ChemDiv screening compound C470-0123
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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
C470-0123
Molecular Formula
C21H26FN5O2 (C21 H26 FN5 O2)
Compound Name
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC name
7-[(4-fluorophenyl)methyl]-13-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione
SMILES
CC1N(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc(cc2)ccc2F)CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
399.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.002
Distribution Coefficient, logD
2.953
Water Solubility, LogSw
-3.06
Polar Surface Area
46.864
Acid Dissociation Constant (pKa)
21.31
Base Dissociation Constant (pKb)
6.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.60
C470-0123 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Proteases Annotated Library (2868 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with C470-0123 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)