8016-9577 Screening compound: 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of ChemDiv screening compound 8016-9577
1,3,4,5-tetrahydro-2H-1-benzazepin-2-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
8016-9577
Molecular Formula
C10H11NO (C10 H11 NO)
Compound Name
1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC name
2345-tetrahydro-1H-1-benzazepin-2-one
SMILES
O=C(CCC1)Nc2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
161.2
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
1.430
Distribution Coefficient, logD
1.430
Water Solubility, LogSw
-1.92
Polar Surface Area
25.390
Acid Dissociation Constant (pKa)
13.72
Base Dissociation Constant (pKb)
-0.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
References: we are preparing a list of scientific research reports with 8016-9577 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)