1445-0713 Screening compound: propan-2-yl (2E,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate

1445-0713 Screening compound: propan-2-yl (2E,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate
1445-0713 Screening compound: propan-2-yl (2E,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1445-0713
propan-2-yl (2E,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

1445-0713

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

propan-2-yl (2E,4E)-5-phenyl-2-(phenylformamido)penta-2,4-dienoate

IUPAC name

propan-2-yl (2E4E)-5-phenyl-2-(phenylformamido)penta-24-dienoate

SMILES

CC(C)OC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O

InChI

InChI=1S/C21H21NO3/c1-16(2)25-21(24)19(15-9-12-17-10-5-3-6-11-17)22-20(23)18-13-7-4-8-14-18/h3-16H,1-2H3,(H,22,23)

InChI Key

PTJFNDFAAJLQJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00377087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.38

Polar Surface Area

42.596

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1445-0713 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1445-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1445-0713?
Check Price and Availability of 1445-0713, 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 1445-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1445-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1445-0713
  • 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 1445-0713 available by request