1445-0698 Screening compound: (2E,4E)-5-PHENYL-N-(1-PHENYLETHYL)-2-(PHENYLFORMAMIDO)PENTA-2,4-DIENAMIDE

1445-0698 Screening compound: (2E,4E)-5-PHENYL-N-(1-PHENYLETHYL)-2-(PHENYLFORMAMIDO)PENTA-2,4-DIENAMIDE
1445-0698 Screening compound: (2E,4E)-5-PHENYL-N-(1-PHENYLETHYL)-2-(PHENYLFORMAMIDO)PENTA-2,4-DIENAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1445-0698
(2E,4E)-5-PHENYL-N-(1-PHENYLETHYL)-2-(PHENYLFORMAMIDO)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

1445-0698

Molecular Formula

C26H24N2O2 (C26 H24 N2 O2)

Compound Name

(2E,4E)-5-PHENYL-N-(1-PHENYLETHYL)-2-(PHENYLFORMAMIDO)PENTA-2,4-DIENAMIDE

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C26H24N2O2/c1-20(22-15-7-3-8-16-22)27-26(30)24(19-11-14-21-12-5-2-6-13-21)28-25(29)23-17-9-4-10-18-23/h2-20H,1H3,(H,27,30)(H,28,29)/t20-/m0/s1

InChI Key

HUMGMRUBCLKIFW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00337093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.58

Polar Surface Area

45.739

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

1445-0698 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1445-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1445-0698?
Check Price and Availability of 1445-0698, 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 1445-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1445-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1445-0698
  • 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 1445-0698 available by request