1326-1318 Screening compound: 1H,3H-benzo[de]isochromen-1-one
Chemical Structure Depiction of ChemDiv screening compound 1326-1318
1H,3H-benzo[de]isochromen-1-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
1326-1318
Molecular Formula
C12H8O2 (C12 H8 O2)
Compound Name
1H,3H-benzo[de]isochromen-1-one
IUPAC name
3-oxatricyclo[7.3.1.0^{513}]trideca-1(12)5(13)6810-pentaen-2-one
SMILES
O=C1OCc2c3c1cccc3ccc2
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
184.19
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
2.959
Distribution Coefficient, logD
2.959
Water Solubility, LogSw
-3.66
Polar Surface Area
22.173
Acid Dissociation Constant (pKa)
22.97
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
8.30
References: we are preparing a list of scientific research reports with 1326-1318 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)