5618-0124 Screening compound: (4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

5618-0124 Screening compound: (4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
5618-0124 Screening compound: (4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0124
(4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)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

5618-0124

Molecular Formula

C18H14BrNO4 (C18 H14 BrNO4)

Compound Name

(4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-phenyl-45-dihydro-12-oxazol-5-one

SMILES

CCOc1cc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc(Br)c1O

InChI

InChI=1S/C18H14BrNO4/c1-2-23-15-10-11(9-14(19)17(15)21)8-13-16(20-24-18(13)22)12-6-4-3-5-7-12/h3-10,21H,2H2,1H3

InChI Key

WXYSMOXLOZVARV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.765

Water Solubility, LogSw

-3.84

Polar Surface Area

58.381

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5618-0124 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5618-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0124?
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What is the minimum amount of 5618-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0124
  • 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 5618-0124 available by request