K076-1387 Screening compound: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

K076-1387 Screening compound: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one
K076-1387 Screening compound: (4E)-4-[(4-tert-butylphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-1387
(4E)-4-[(4-tert-butylphenyl)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

K076-1387

Molecular Formula

C24H21NO2 (C24 H21 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1

InChI

InChI=1S/C24H21NO2/c1-24(2,3)18-13-11-16(12-14-18)15-21-23(26)27-22(25-21)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,1-3H3

InChI Key

NPWBBADXRHVVML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.973

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-6.64

Polar Surface Area

30.104

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K076-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-1387?
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What is the minimum amount of K076-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-1387
  • 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 K076-1387 available by request