4678-0260 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

4678-0260 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
4678-0260 Screening compound: (2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0260
(2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

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

4678-0260

Molecular Formula

C20H23NO2 (C20 H23 NO2)

Compound Name

(2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

IUPAC name

(2E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

SMILES

CC(C)(C)c1ccc(/C=C/C(Nc(cccc2)c2OC)=O)cc1

InChI

InChI=1S/C20H23NO2/c1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4/h5-14H,1-4H3,(H,21,22)

InChI Key

LVSMGZPRGNASEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.544

Distribution Coefficient, logD

5.544

Water Solubility, LogSw

-5.70

Polar Surface Area

30.049

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4678-0260 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Ion Channels Annotated Library (353 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4678-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0260?
Check Price and Availability of 4678-0260, 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 4678-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0260
  • 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 4678-0260 available by request