D318-0374 Screening compound: 2-benzyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Chemical Structure Depiction of ChemDiv screening compound D318-0374
2-benzyl-2,5,7-trimethyl-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
D318-0374
Molecular Formula
C18H24N2O (C18 H24 N2 O)
Compound Name
2-benzyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
IUPAC name
2-benzyl-257-trimethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one
SMILES
CC(Cc1ccccc1)(N(CC1(C)C2)C3)N2CC3(C)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
284.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.277
Distribution Coefficient, logD
3.277
Water Solubility, LogSw
-3.27
Polar Surface Area
19.491
Acid Dissociation Constant (pKa)
26.25
Base Dissociation Constant (pKb)
4.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
61.10
D318-0374 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Soluble Diversity Library (15920 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with D318-0374 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)