8011-5542 Screening compound: 2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate

8011-5542 Screening compound: 2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate
8011-5542 Screening compound: 2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5542
2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate

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

8011-5542

Molecular Formula

C24H15Cl2NO5 (C24 H15 Cl2 NO5)

Compound Name

2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate

IUPAC name

2-chloro-4-{[(4E)-2-(4-chlorophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}-6-methoxyphenyl benzoate

SMILES

COc1cc(/C=C2/N=C(c(cc3)ccc3Cl)OC2=O)cc(Cl)c1OC(c1ccccc1)=O

InChI

InChI=1S/C24H15Cl2NO5/c1-30-20-13-14(11-18(26)21(20)31-23(28)16-5-3-2-4-6-16)12-19-24(29)32-22(27-19)15-7-9-17(25)10-8-15/h2-13H,1H3

InChI Key

SGIFGPFSOURZGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02940773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.890

Distribution Coefficient, logD

5.890

Water Solubility, LogSw

-6.12

Polar Surface Area

58.557

Acid Dissociation Constant (pKa)

33.05

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 8011-5542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5542?
Check Price and Availability of 8011-5542, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8011-5542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5542
  • 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 8011-5542 available by request