3268-0042 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

3268-0042 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one
3268-0042 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3268-0042
(4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-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

3268-0042

Molecular Formula

C17H13NO3 (C17 H13 NO3)

Compound Name

(4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-4-[(2-methoxyphenyl)methylidene]-3-phenyl-45-dihydro-12-oxazol-5-one

SMILES

COc1c(/C=C(/C(c2ccccc2)=NO2)\C2=O)cccc1

InChI

InChI=1S/C17H13NO3/c1-20-15-10-6-5-9-13(15)11-14-16(18-21-17(14)19)12-7-3-2-4-8-12/h2-11H,1H3

InChI Key

NVYSQDXQSDKUAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01096021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.42

Polar Surface Area

43.322

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3268-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3268-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3268-0042?
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What is the minimum amount of 3268-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3268-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3268-0042
  • 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 3268-0042 available by request