8007-6890 Screening compound: 4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

8007-6890 Screening compound: 4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
8007-6890 Screening compound: 4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6890
4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

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

8007-6890

Molecular Formula

C27H25NO5S (C27 H25 NO5 S)

Compound Name

4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

IUPAC name

4-{[(4Z)-2-(4-tert-butylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

SMILES

CC(C)(C)c(cc1)ccc1C(OC1=O)=N/C1=C\c(cc1)ccc1OS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C27H25NO5S/c1-18-5-15-23(16-6-18)34(30,31)33-22-13-7-19(8-14-22)17-24-26(29)32-25(28-24)20-9-11-21(12-10-20)27(2,3)4/h5-17H,1-4H3

InChI Key

WHPUXEFIGWJWER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01050098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.439

Distribution Coefficient, logD

6.439

Water Solubility, LogSw

-5.79

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

18.50

References: we are preparing a list of scientific research reports with 8007-6890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6890?
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What is the minimum amount of 8007-6890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6890
  • 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 8007-6890 available by request