8005-8785 Screening compound: (2E)-3-(1,1'-biphenyl-4-yl)-N-(pyridin-3-ylmethyl)acrylamide

8005-8785 Screening compound: (2E)-3-(1,1'-biphenyl-4-yl)-N-(pyridin-3-ylmethyl)acrylamide
8005-8785 Screening compound: (2E)-3-(1,1'-biphenyl-4-yl)-N-(pyridin-3-ylmethyl)acrylamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-8785
(2E)-3-(1,1'-biphenyl-4-yl)-N-(pyridin-3-ylmethyl)acrylamide

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

8005-8785

Molecular Formula

C21H18N2O (C21 H18 N2 O)

Compound Name

(2E)-3-(1,1'-biphenyl-4-yl)-N-(pyridin-3-ylmethyl)acrylamide

IUPAC name

(2E)-3-{[11'-biphenyl]-4-yl}-N-[(pyridin-3-yl)methyl]prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1-c1ccccc1)NCc1cnccc1

InChI

InChI=1S/C21H18N2O/c24-21(23-16-18-5-4-14-22-15-18)13-10-17-8-11-20(12-9-17)19-6-2-1-3-7-19/h1-15H,16H2,(H,23,24)

InChI Key

KBMJVQIBDHOTTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

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

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.08

Polar Surface Area

33.685

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8005-8785 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8005-8785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-8785?
Check Price and Availability of 8005-8785, 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 8005-8785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-8785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-8785
  • 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 8005-8785 available by request