8009-5663 Screening compound: 3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole

8009-5663 Screening compound: 3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole
8009-5663 Screening compound: 3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5663
3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole

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

8009-5663

Molecular Formula

C12H8F3NO (C12 H8 F3 NO)

Compound Name

3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-1,2-oxazole

IUPAC name

3-[(1E)-2-phenylethenyl]-5-(trifluoromethyl)-12-oxazole

SMILES

FC(c1cc(/C=C/c2ccccc2)no1)(F)F

InChI

InChI=1S/C12H8F3NO/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H

InChI Key

QFPSOZUQQRBMBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.32

Polar Surface Area

22.269

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8009-5663 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-5663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5663?
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What is the minimum amount of 8009-5663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5663
  • 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 8009-5663 available by request