K076-1458 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one

K076-1458 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one
K076-1458 Screening compound: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K076-1458
(4E)-4-[(2,3-dimethoxyphenyl)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

K076-1458

Molecular Formula

C22H17NO4 (C22 H17 NO4)

Compound Name

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

IUPAC name

(4E)-4-[(23-dimethoxyphenyl)methylidene]-2-(naphthalen-1-yl)-45-dihydro-13-oxazol-5-one

SMILES

COc1cccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c1OC

InChI

InChI=1S/C22H17NO4/c1-25-19-12-6-9-15(20(19)26-2)13-18-22(24)27-21(23-18)17-11-5-8-14-7-3-4-10-16(14)17/h3-13H,1-2H3

InChI Key

SOUKDEBMAQMGPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02361503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.21

Polar Surface Area

45.452

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K076-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K076-1458?
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What is the minimum amount of K076-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K076-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K076-1458
  • 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 K076-1458 available by request