6134-3209 Screening compound: propyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

6134-3209 Screening compound: propyl 4-(5-{[(4Z)-5-oxo-3-phenyl-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate
6134-3209 Screening compound: propyl 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 6134-3209
propyl 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

6134-3209

Molecular Formula

C24H19NO5 (C24 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H19NO5/c1-2-14-28-23(26)18-10-8-16(9-11-18)21-13-12-19(29-21)15-20-22(25-30-24(20)27)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3

InChI Key

RPQRVTQBWKPYHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

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

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.56

Polar Surface Area

64.309

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6134-3209 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6134-3209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-3209?
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What is the minimum amount of 6134-3209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-3209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-3209
  • 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 6134-3209 available by request