0455-0021 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-1,3-oxazolidin-2-ylidene]prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium

0455-0021 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-1,3-oxazolidin-2-ylidene]prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium
0455-0021 Screening compound: 3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-1,3-oxazolidin-2-ylidene]prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0455-0021
3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-1,3-oxazolidin-2-ylidene]prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium

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

0455-0021

Molecular Formula

C13H21N2O2 (C13 H21 N2 O2)

Compound Name

3-ethyl-2-[(1E)-3-[(2Z)-3-ethyl-1,3-oxazolidin-2-ylidene]prop-1-en-1-yl]-4,5-dihydro-1,3-oxazol-3-ium

IUPAC name

n/a

SMILES

CCN(CCO1)/C1=C/C=C/C1=[N+](CC)CCO1

InChI

InChI=1S/C13H21N2O2/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13/h5-7H,3-4,8-11H2,1-2H3/q+1

InChI Key

WUKRBMPMKWKFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535805

Chemical and Physical Properties

Saltdata

p-CH3C6H4SO3-

Molecular Weight

237.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.784

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-1.52

Polar Surface Area

22.625

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

0455-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 0455-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0455-0021?
Check Price and Availability of 0455-0021, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0455-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0455-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0455-0021
  • 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 0455-0021 available by request