0350-0079 Screening compound: (2E,4E)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoate

0350-0079 Screening compound: (2E,4E)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoate
0350-0079 Screening compound: (2E,4E)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0350-0079
(2E,4E)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoate

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

0350-0079

Molecular Formula

C11H10NO2 (C11 H10 NO2)

Compound Name

(2E,4E)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoate

IUPAC name

(2E4E)-3-methyl-5-(pyridin-3-yl)penta-24-dienoate

SMILES

C/C(/C=C/c1cnccc1)=C\C([O-])=O

InChI

InChI=1S/C11H11NO2/c1-9(7-11(13)14)4-5-10-3-2-6-12-8-10/h2-8H,1H3,(H,13,14)/p-1

InChI Key

RFGMDOCXGCLNGA-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00634466

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

188.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-1.22

Polar Surface Area

38.140

Acid Dissociation Constant (pKa)

35.06

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0350-0079 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 0350-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0350-0079?
Check Price and Availability of 0350-0079, 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 0350-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0350-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0350-0079
  • 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 0350-0079 available by request