3865-0092 Screening compound: butyl (2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate

3865-0092 Screening compound: butyl (2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate
3865-0092 Screening compound: butyl (2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3865-0092
butyl (2Z,4E)-5-phenyl-2-(phenylformamido)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

3865-0092

Molecular Formula

C22H23NO3 (C22 H23 NO3)

Compound Name

butyl (2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate

IUPAC name

butyl (2Z4E)-5-phenyl-2-(phenylformamido)penta-24-dienoate

SMILES

CCCCOC(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)=O

InChI

InChI=1S/C22H23NO3/c1-2-3-17-26-22(25)20(16-10-13-18-11-6-4-7-12-18)23-21(24)19-14-8-5-9-15-19/h4-16H,2-3,17H2,1H3,(H,23,24)

InChI Key

BQKMYYABSIILOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.240

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-5.11

Polar Surface Area

43.211

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3865-0092 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3865-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3865-0092?
Check Price and Availability of 3865-0092, 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 3865-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3865-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3865-0092
  • 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 3865-0092 available by request