8001-1261 Screening compound: 4-benzyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
Chemical Structure Depiction of ChemDiv screening compound 8001-1261
4-benzyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-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
8001-1261
Molecular Formula
C16H15NO2 (C16 H15 NO2)
Compound Name
4-benzyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
IUPAC name
4-benzyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione
SMILES
O=C(C1C2C3C=CC1C3)N(Cc1ccccc1)C2=O
InChI
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
253.3
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
2.039
Distribution Coefficient, logD
2.039
Water Solubility, LogSw
-2.27
Polar Surface Area
30.336
Acid Dissociation Constant (pKa)
18.15
Base Dissociation Constant (pKb)
-8.97
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
37.50
References: we are preparing a list of scientific research reports with 8001-1261 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)