2084-9902 Screening compound: (4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one

2084-9902 Screening compound: (4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
2084-9902 Screening compound: (4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2084-9902
(4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-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

2084-9902

Molecular Formula

C21H17NO3 (C21 H17 NO3)

Compound Name

(4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4-[(2Z)-3-phenylprop-2-en-1-ylidene]-45-dihydro-13-oxazol-5-one

SMILES

COc1c(/C=C/C(OC2=O)=N/C2=C\C=C/c2ccccc2)cccc1

InChI

InChI=1S/C21H17NO3/c1-24-19-13-6-5-11-17(19)14-15-20-22-18(21(23)25-20)12-7-10-16-8-3-2-4-9-16/h2-15H,1H3

InChI Key

NRMFNYCMDKFRDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.78

Polar Surface Area

38.152

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2084-9902 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2084-9902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2084-9902?
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What is the minimum amount of 2084-9902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2084-9902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2084-9902
  • 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 2084-9902 available by request