D075-0024 Screening compound: (2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)prop-2-enamide

D075-0024 Screening compound: (2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)prop-2-enamide
D075-0024 Screening compound: (2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D075-0024
(2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)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

D075-0024

Molecular Formula

C22H20N2O (C22 H20 N2 O)

Compound Name

(2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)prop-2-enamide

IUPAC name

(2E)-N-benzyl-3-(4-methylphenyl)-N-(pyridin-2-yl)prop-2-enamide

SMILES

Cc1ccc(/C=C/C(N(Cc2ccccc2)c2ncccc2)=O)cc1

InChI

InChI=1S/C22H20N2O/c1-18-10-12-19(13-11-18)14-15-22(25)24(21-9-5-6-16-23-21)17-20-7-3-2-4-8-20/h2-16H,17H2,1H3

InChI Key

BOEUEXHMXJAYQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.72

Polar Surface Area

23.573

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D075-0024 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D075-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D075-0024?
Check Price and Availability of D075-0024, 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 D075-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D075-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D075-0024
  • 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 D075-0024 available by request