4386-4361 Screening compound: 2-phenyl-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of ChemDiv screening compound 4386-4361
2-phenyl-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
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
4386-4361
Molecular Formula
C20H28N2O (C20 H28 N2 O)
Compound Name
2-phenyl-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
IUPAC name
2-phenyl-57-dipropyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one
SMILES
CCCC(C1)(CN2C(c3ccccc3)N1CC1(CCC)C2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.46
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.161
Distribution Coefficient, logD
4.161
Water Solubility, LogSw
-4.03
Polar Surface Area
19.918
Acid Dissociation Constant (pKa)
26.55
Base Dissociation Constant (pKb)
3.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
65.00
4386-4361 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with 4386-4361 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)