5547-0340 Screening compound: (4E)-4-({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

5547-0340 Screening compound: (4E)-4-({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
5547-0340 Screening compound: (4E)-4-({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5547-0340
(4E)-4-({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-4,5-dihydro-1,2-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

5547-0340

Molecular Formula

C24H17Cl2NO4 (C24 H17 Cl2 NO4)

Compound Name

(4E)-4-({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4E)-4-({4-[(26-dichlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-3-phenyl-45-dihydro-12-oxazol-5-one

SMILES

COc(cc(/C=C(\C(c1ccccc1)=NO1)/C1=O)cc1)c1OCc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C24H17Cl2NO4/c1-29-22-13-15(10-11-21(22)30-14-18-19(25)8-5-9-20(18)26)12-17-23(27-31-24(17)28)16-6-3-2-4-7-16/h2-13H,14H2,1H3

InChI Key

PQNVTVBDNOMCRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03670079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.411

Water Solubility, LogSw

-6.04

Polar Surface Area

50.636

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 5547-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5547-0340?
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What is the minimum amount of 5547-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5547-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5547-0340
  • 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 5547-0340 available by request