8008-1443 Screening compound: 2-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

8008-1443 Screening compound: 2-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
8008-1443 Screening compound: 2-{[(4E)-2-(4-chlorophenyl)-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 8008-1443
2-{[(4E)-2-(4-chlorophenyl)-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

8008-1443

Molecular Formula

C23H16ClNO5S (C23 H16 ClNO5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(Oc1c(/C=C2/N=C(c(cc3)ccc3Cl)OC2=O)cccc1)(=O)=O

InChI

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

InChI Key

UWGUYCOUKDVUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240657

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

5.238

Distribution Coefficient, logD

5.238

Water Solubility, LogSw

-5.81

Polar Surface Area

66.224

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8008-1443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1443?
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What is the minimum amount of 8008-1443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1443
  • 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 8008-1443 available by request