8014-0709 Screening compound: 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate

8014-0709 Screening compound: 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate
8014-0709 Screening compound: 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 4-chloro-1-benzenesulfonate alternative view

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

InChI=1S/C23H16ClNO5S/c1-15-2-6-17(7-3-15)22-25-21(23(26)29-22)14-16-4-10-19(11-5-16)30-31(27,28)20-12-8-18(24)9-13-20/h2-14H,1H3

InChI Key

CUQGWNMBXAILOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02581448

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

How to purchase chemical compound 8014-0709?
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What is the minimum amount of 8014-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0709
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-0709 available by request