3379-3247 Screening compound: 3-[(2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienamido]propanoic acid

3379-3247 Screening compound: 3-[(2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienamido]propanoic acid
3379-3247 Screening compound: 3-[(2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3247
3-[(2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienamido]propanoic acid

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

3379-3247

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

3-[(2Z,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienamido]propanoic acid

IUPAC name

3-[(2Z4E)-5-phenyl-2-(phenylformamido)penta-24-dienamido]propanoic acid

SMILES

OC(CCNC(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C21H20N2O4/c24-19(25)14-15-22-21(27)18(13-7-10-16-8-3-1-4-9-16)23-20(26)17-11-5-2-6-12-17/h1-13H,14-15H2,(H,22,27)(H,23,26)(H,24,25)

InChI Key

LCHWSKYUXRJEFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

-0.533

Water Solubility, LogSw

-2.72

Polar Surface Area

75.073

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3379-3247 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3379-3247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3247?
Check Price and Availability of 3379-3247, 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 3379-3247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3247
  • 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 3379-3247 available by request