5408-2320 Screening compound: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

5408-2320 Screening compound: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one
5408-2320 Screening compound: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-2320
(4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-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

5408-2320

Molecular Formula

C13H12BrNO4 (C13 H12 BrNO4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,16H,3H2,1-2H3

InChI Key

KMWVKLKQXPVEIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.15

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

2.678

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.51

Polar Surface Area

57.825

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5408-2320 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5408-2320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-2320?
Check Price and Availability of 5408-2320, 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 5408-2320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-2320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-2320
  • 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 5408-2320 available by request