3236-0121 Screening compound: (2E,4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-2,4-dienamide

3236-0121 Screening compound: (2E,4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-2,4-dienamide
3236-0121 Screening compound: (2E,4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-2,4-dienamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3236-0121
(2E,4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-2,4-dienamide

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

3236-0121

Molecular Formula

C18H15N3O (C18 H15 N3 O)

Compound Name

(2E,4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-2,4-dienamide

IUPAC name

(2E4E)-2-cyano-5-phenyl-N-[(pyridin-3-yl)methyl]penta-24-dienamide

SMILES

N#C/C(/C(NCc1cnccc1)=O)=C\C=C\c1ccccc1

InChI

InChI=1S/C18H15N3O/c19-12-17(10-4-8-15-6-2-1-3-7-15)18(22)21-14-16-9-5-11-20-13-16/h1-11,13H,14H2,(H,21,22)

InChI Key

PEQAOXWRBPFEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.32

Polar Surface Area

51.226

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3236-0121 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3236-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3236-0121?
Check Price and Availability of 3236-0121, 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 3236-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3236-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3236-0121
  • 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 3236-0121 available by request