8006-2061 Screening compound: (E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine

8006-2061 Screening compound: (E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine
8006-2061 Screening compound: (E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2061
(E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine

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

8006-2061

Molecular Formula

C22H16N2O2 (C22 H16 N2 O2)

Compound Name

(E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine

IUPAC name

(E)-N-(2-methyl-5-nitrophenyl)-1-[4-(2-phenylethynyl)phenyl]methanimine

SMILES

Cc(ccc([N+]([O-])=O)c1)c1/N=C/c(cc1)ccc1C#Cc1ccccc1

InChI

InChI=1S/C22H16N2O2/c1-17-7-14-21(24(25)26)15-22(17)23-16-20-12-10-19(11-13-20)9-8-18-5-3-2-4-6-18/h2-7,10-16H,1H3

InChI Key

WFNSAGXDAMKCAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00372076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

6.205

Water Solubility, LogSw

-5.74

Polar Surface Area

40.778

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8006-2061 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 8006-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2061?
Check Price and Availability of 8006-2061, 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 8006-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2061
  • 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 8006-2061 available by request