6217-3096 Screening compound: (5E)-5-[(5-BROMO-2-METHOXYPHENYL)METHYLIDENE]-2-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-ONE

6217-3096 Screening compound: (5E)-5-[(5-BROMO-2-METHOXYPHENYL)METHYLIDENE]-2-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-ONE
6217-3096 Screening compound: (5E)-5-[(5-BROMO-2-METHOXYPHENYL)METHYLIDENE]-2-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6217-3096
(5E)-5-[(5-BROMO-2-METHOXYPHENYL)METHYLIDENE]-2-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-ONE

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

6217-3096

Molecular Formula

C17H11BrFNO3 (C17 H11 BrFNO3)

Compound Name

(5E)-5-[(5-BROMO-2-METHOXYPHENYL)METHYLIDENE]-2-(2-FLUOROPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-4-ONE

IUPAC name

(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-45-dihydro-13-oxazol-4-one

SMILES

COc(cc1)c(/C=C2/OC(c(cccc3)c3F)=NC2=O)cc1Br

InChI

InChI=1S/C17H11BrFNO3/c1-22-14-7-6-11(18)8-10(14)9-15-16(21)20-17(23-15)12-4-2-3-5-13(12)19/h2-9H,1H3

InChI Key

FDHZDWLCNGYUBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.10

Polar Surface Area

38.666

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6217-3096 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6217-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6217-3096?
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What is the minimum amount of 6217-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6217-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6217-3096
  • 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 6217-3096 available by request