6217-3113 Screening compound: (5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one

6217-3113 Screening compound: (5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one
6217-3113 Screening compound: (5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6217-3113
(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-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

6217-3113

Molecular Formula

C17H12FNO3 (C17 H12 FNO3)

Compound Name

(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-one

IUPAC name

(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)-45-dihydro-13-oxazol-4-one

SMILES

COc(cc1)ccc1C(O/C1=C/c2cccc(F)c2)=NC1=O

InChI

InChI=1S/C17H12FNO3/c1-21-14-7-5-12(6-8-14)17-19-16(20)15(22-17)10-11-3-2-4-13(18)9-11/h2-10H,1H3

InChI Key

HJEZSTRBDZLMEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.29

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

3.036

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.38

Polar Surface Area

38.579

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6217-3113 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 6217-3113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6217-3113?
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What is the minimum amount of 6217-3113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6217-3113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6217-3113
  • 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 6217-3113 available by request