6134-3246 Screening compound: benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

6134-3246 Screening compound: benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate
6134-3246 Screening compound: benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-3246
benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)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

6134-3246

Molecular Formula

C28H19NO5 (C28 H19 NO5)

Compound Name

benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

benzyl 4-(5-{[(4Z)-5-oxo-3-phenyl-45-dihydro-12-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

O=C(c(cc1)ccc1-c1ccc(/C=C(/C(c2ccccc2)=NO2)\C2=O)o1)OCc1ccccc1

InChI

InChI=1S/C28H19NO5/c30-27(32-18-19-7-3-1-4-8-19)22-13-11-20(12-14-22)25-16-15-23(33-25)17-24-26(29-34-28(24)31)21-9-5-2-6-10-21/h1-17H,18H2

InChI Key

JGZCTYDEHJOFBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-6.13

Polar Surface Area

64.119

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 6134-3246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-3246?
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What is the minimum amount of 6134-3246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-3246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-3246
  • 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 6134-3246 available by request