8014-0683 Screening compound: 2-methoxy-4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 1-benzenesulfonate

8014-0683 Screening compound: 2-methoxy-4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 1-benzenesulfonate
8014-0683 Screening compound: 2-methoxy-4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0683
2-methoxy-4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 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

8014-0683

Molecular Formula

C24H19NO6S (C24 H19 NO6 S)

Compound Name

2-methoxy-4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 1-benzenesulfonate

IUPAC name

2-methoxy-4-{[(4E)-2-(4-methylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl benzenesulfonate

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/c(cc1)cc(OC)c1OS(c1ccccc1)(=O)=O

InChI

InChI=1S/C24H19NO6S/c1-16-8-11-18(12-9-16)23-25-20(24(26)30-23)14-17-10-13-21(22(15-17)29-2)31-32(27,28)19-6-4-3-5-7-19/h3-15H,1-2H3

InChI Key

BCLHFTLNPGXTTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02581255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.41

Polar Surface Area

73.854

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

References: we are preparing a list of scientific research reports with 8014-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0683?
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What is the minimum amount of 8014-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0683
  • 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 8014-0683 available by request