1894-8816 Screening compound: (4E)-4-[(2-fluorophenyl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one

1894-8816 Screening compound: (4E)-4-[(2-fluorophenyl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one
1894-8816 Screening compound: (4E)-4-[(2-fluorophenyl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8816
(4E)-4-[(2-fluorophenyl)methylidene]-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-5-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

1894-8816

Molecular Formula

C17H12FNO2 (C17 H12 FNO2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(OC2=O)=N/C2=C/c(cccc2)c2F)c1

InChI

InChI=1S/C17H12FNO2/c1-11-5-4-7-13(9-11)16-19-15(17(20)21-16)10-12-6-2-3-8-14(12)18/h2-10H,1H3

InChI Key

XTNNJXGYBRSUQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-3.99

Polar Surface Area

30.376

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1894-8816 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1894-8816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-8816?
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What is the minimum amount of 1894-8816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8816
  • 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 1894-8816 available by request