8020-0589 Screening compound: 17-thiabicyclo[12.2.1]heptadeca-1(16),14-diene-2,13-dione
Chemical Structure Depiction of ChemDiv screening compound 8020-0589
17-thiabicyclo[12.2.1]heptadeca-1(16),14-diene-2,13-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
8020-0589
Molecular Formula
C16H22O2S (C16 H22 O2 S)
Compound Name
17-thiabicyclo[12.2.1]heptadeca-1(16),14-diene-2,13-dione
IUPAC name
17-thiabicyclo[12.2.1]heptadeca-1(16)14-diene-213-dione
SMILES
O=C(CCCCCCCCCCC1=O)c2ccc1s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
278.42
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
5.295
Distribution Coefficient, logD
5.295
Water Solubility, LogSw
-5.42
Polar Surface Area
28.004
Acid Dissociation Constant (pKa)
20.33
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
62.50
References: we are preparing a list of scientific research reports with 8020-0589 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)