1989-9353 Screening compound: (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

1989-9353 Screening compound: (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
1989-9353 Screening compound: (4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9353
(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-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

1989-9353

Molecular Formula

C18H13ClFNO4 (C18 H13 ClFNO4)

Compound Name

(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-2-(34-dimethoxyphenyl)-45-dihydro-13-oxazol-5-one

SMILES

COc(ccc(C(OC1=O)=N/C1=C\c(c(F)ccc1)c1Cl)c1)c1OC

InChI

InChI=1S/C18H13ClFNO4/c1-23-15-7-6-10(8-16(15)24-2)17-21-14(18(22)25-17)9-11-12(19)4-3-5-13(11)20/h3-9H,1-2H3

InChI Key

RUWCMZGSBQEEHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.87

Polar Surface Area

45.636

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1989-9353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9353?
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What is the minimum amount of 1989-9353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9353
  • 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 1989-9353 available by request