8014-0709 Screening compound: 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate
Chemical Structure Depiction of ChemDiv screening compound 8014-0709
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate
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
8014-0709
Molecular Formula
C23H16ClNO5S (C23 H16 ClNO5 S)
Compound Name
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate
IUPAC name
4-{[(4E)-2-(4-methylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl 4-chlorobenzene-1-sulfonate
SMILES
Cc(cc1)ccc1C(OC1=O)=N/C1=C/c(cc1)ccc1OS(c(cc1)ccc1Cl)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
453.9
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.239
Distribution Coefficient, logD
5.239
Water Solubility, LogSw
-5.95
Polar Surface Area
66.137
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
0.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
4.35
References: we are preparing a list of scientific research reports with 8014-0709 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)