8020-5019 Screening compound: 4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde

8020-5019 Screening compound: 4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde
8020-5019 Screening compound: 4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5019
4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde

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

8020-5019

Molecular Formula

C16H12O2 (C16 H12 O2)

Compound Name

4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde

IUPAC name

4-[2-(4-methoxyphenyl)ethynyl]benzaldehyde

SMILES

COc(cc1)ccc1C#Cc1ccc(C=O)cc1

InChI

InChI=1S/C16H12O2/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-12H,1H3

InChI Key

NTZKYLWDRVUACN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18207376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.32

Polar Surface Area

21.670

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8020-5019 in Drug Discovery

Included in Screening Libraries

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 8020-5019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5019?
Check Price and Availability of 8020-5019, 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 8020-5019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5019
  • 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 8020-5019 available by request