8008-9174 Screening compound: 1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-ium

8008-9174 Screening compound: 1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-ium
8008-9174 Screening compound: 1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9174
1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-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

8008-9174

Molecular Formula

C11H14NO2 (C11 H14 NO2)

Compound Name

1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-ium

IUPAC name

1-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-methylpyridin-1-ium

SMILES

CCOC(/C=C/[n+]1cc(C)ccc1)=O

InChI

InChI=1S/C11H14NO2/c1-3-14-11(13)6-8-12-7-4-5-10(2)9-12/h4-9H,3H2,1-2H3/q+1

InChI Key

ILXVSBCPXPDTGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110087

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

192.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.819

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-1.72

Polar Surface Area

22.965

Acid Dissociation Constant (pKa)

28.87

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 8008-9174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9174?
Check Price and Availability of 8008-9174, 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 8008-9174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9174
  • 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 8008-9174 available by request