K076-1413 Screening compound: (4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

K076-1413 Screening compound: (4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one
K076-1413 Screening compound: (4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-1413
(4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-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

K076-1413

Molecular Formula

C21H15NO2 (C21 H15 NO2)

Compound Name

(4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-[(4-methylphenyl)methylidene]-2-(naphthalen-1-yl)-45-dihydro-13-oxazol-5-one

SMILES

Cc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1

InChI

InChI=1S/C21H15NO2/c1-14-9-11-15(12-10-14)13-19-21(23)24-20(22-19)18-8-4-6-16-5-2-3-7-17(16)18/h2-13H,1H3

InChI Key

IJDRJOCCIOBSTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01000700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

4.602

Water Solubility, LogSw

-4.95

Polar Surface Area

30.104

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K076-1413 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K076-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-1413?
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What is the minimum amount of K076-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-1413
  • 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 K076-1413 available by request