8014-0717 Screening compound: 3-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 3-fluorobenzoate

8014-0717 Screening compound: 3-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 3-fluorobenzoate
8014-0717 Screening compound: 3-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0717
3-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 3-fluorobenzoate

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

8014-0717

Molecular Formula

C24H16FNO4 (C24 H16 FNO4)

Compound Name

3-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}phenyl 3-fluorobenzoate

IUPAC name

3-{[(4E)-2-(4-methylphenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl 3-fluorobenzoate

SMILES

Cc(cc1)ccc1C(OC1=O)=N/C1=C/c1cccc(OC(c2cccc(F)c2)=O)c1

InChI

InChI=1S/C24H16FNO4/c1-15-8-10-17(11-9-15)22-26-21(24(28)30-22)13-16-4-2-7-20(12-16)29-23(27)18-5-3-6-19(25)14-18/h2-14H,1H3

InChI Key

NNURDRIGYABKTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02581364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

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

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.61

Polar Surface Area

50.753

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8014-0717 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0717?
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What is the minimum amount of 8014-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0717
  • 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 8014-0717 available by request