8009-5625 Screening compound: 4-{[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl}phenyl benzoate

8009-5625 Screening compound: 4-{[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl}phenyl benzoate
8009-5625 Screening compound: 4-{[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5625
4-{[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl}phenyl 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

8009-5625

Molecular Formula

C23H15NO4 (C23 H15 NO4)

Compound Name

4-{[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl}phenyl benzoate

IUPAC name

4-{[(4E)-5-oxo-3-phenyl-45-dihydro-12-oxazol-4-ylidene]methyl}phenyl benzoate

SMILES

O=C(c1ccccc1)Oc1ccc(/C=C(\C(c2ccccc2)=NO2)/C2=O)cc1

InChI

InChI=1S/C23H15NO4/c25-22(18-9-5-2-6-10-18)27-19-13-11-16(12-14-19)15-20-21(24-28-23(20)26)17-7-3-1-4-8-17/h1-15H

InChI Key

DXQCGIUMPFTPMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.50

Polar Surface Area

56.069

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-5625 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5625?
Check Price and Availability of 8009-5625, 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 8009-5625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5625
  • 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 8009-5625 available by request