5408-0982 Screening compound: (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

5408-0982 Screening compound: (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
5408-0982 Screening compound: (4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0982
(4E)-4-[(4-hydroxy-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

5408-0982

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(\C(c1ccccc1)=NO1)/C1=O)cc1)c1O

InChI

InChI=1S/C17H13NO4/c1-21-15-10-11(7-8-14(15)19)9-13-16(18-22-17(13)20)12-5-3-2-4-6-12/h2-10,19H,1H3

InChI Key

LRCZCFNUNZQGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

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

2.323

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-2.58

Polar Surface Area

59.870

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5408-0982 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5408-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0982?
Check Price and Availability of 5408-0982, 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 5408-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0982
  • 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 5408-0982 available by request