1989-9457 Screening compound: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

1989-9457 Screening compound: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
1989-9457 Screening compound: (4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9457
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3-fluorophenyl)methylidene]-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

1989-9457

Molecular Formula

C17H11ClFNO3 (C17 H11 ClFNO3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1C(OC1=O)=N/C1=C\c1cc(F)ccc1

InChI

InChI=1S/C17H11ClFNO3/c1-22-15-6-5-11(18)9-13(15)16-20-14(17(21)23-16)8-10-3-2-4-12(19)7-10/h2-9H,1H3

InChI Key

MDCKPXPBSBJPER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.73

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

3.763

Distribution Coefficient, logD

3.763

Water Solubility, LogSw

-4.36

Polar Surface Area

38.006

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1989-9457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9457?
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What is the minimum amount of 1989-9457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9457
  • 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 1989-9457 available by request