1894-8779 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

1894-8779 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one
1894-8779 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8779
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-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

1894-8779

Molecular Formula

C20H16N2O5 (C20 H16 N2 O5)

Compound Name

(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-4-[(4-ethoxyphenyl)methylidene]-2-[(1E)-2-(4-nitrophenyl)ethenyl]-45-dihydro-13-oxazol-5-one

SMILES

CCOc1ccc(/C=C2/N=C(/C=C/c(cc3)ccc3[N+]([O-])=O)OC2=O)cc1

InChI

InChI=1S/C20H16N2O5/c1-2-26-17-10-5-15(6-11-17)13-18-20(23)27-19(21-18)12-7-14-3-8-16(9-4-14)22(24)25/h3-13H,2H2,1H3

InChI Key

NUDJTNKQSGQODJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.31

Polar Surface Area

71.027

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1894-8779 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1894-8779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-8779?
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What is the minimum amount of 1894-8779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8779
  • 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 1894-8779 available by request