5618-0193 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

5618-0193 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
5618-0193 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0193
(4Z)-4-[(3-bromo-4-hydroxy-5-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

5618-0193

Molecular Formula

C17H12BrNO4 (C17 H12 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(/C=C(/C(c2ccccc2)=NO2)\C2=O)cc(Br)c1O

InChI

InChI=1S/C17H12BrNO4/c1-22-14-9-10(8-13(18)16(14)20)7-12-15(19-23-17(12)21)11-5-3-2-4-6-11/h2-9,20H,1H3/b12-7-

InChI Key

IOBCYWIQTKLRLD-GHXNOFRVSA-N

MDL Number (MFCD)

MFCD05031093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.26

Polar Surface Area

58.801

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5618-0193 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 5618-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0193?
Check Price and Availability of 5618-0193, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5618-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0193
  • 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 5618-0193 available by request