8003-0092 Screening compound: 5,7-dimethyl-2-phenoxy-1,3-diaza-2lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decane-2,6-dione
Chemical Structure Depiction of ChemDiv screening compound 8003-0092
5,7-dimethyl-2-phenoxy-1,3-diaza-2lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decane-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
8003-0092
Molecular Formula
C15H19N2O3P (C15 H19 N2 O3 P)
Compound Name
5,7-dimethyl-2-phenoxy-1,3-diaza-2lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decane-2,6-dione
IUPAC name
57-dimethyl-2-phenoxy-13-diaza-2lambda5-phosphatricyclo[3.3.1.1^{37}]decane-26-dione
SMILES
CC(CN1CC2(C)C3)(CN3P1(Oc1ccccc1)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
306.3
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.774
Distribution Coefficient, logD
1.774
Water Solubility, LogSw
-2.11
Polar Surface Area
45.229
Acid Dissociation Constant (pKa)
30.84
Base Dissociation Constant (pKb)
0.22
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
53.30
8003-0092 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Kinases Annotated Library (2415 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 8003-0092 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)