8003-4394 Screening compound: (E)-N-(naphthalen-2-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine

8003-4394 Screening compound: (E)-N-(naphthalen-2-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine
8003-4394 Screening compound: (E)-N-(naphthalen-2-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4394
(E)-N-(naphthalen-2-yl)-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

8003-4394

Molecular Formula

C25H17N (C25 H17 N)

Compound Name

(E)-N-(naphthalen-2-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine

IUPAC name

(E)-N-(naphthalen-2-yl)-1-[4-(2-phenylethynyl)phenyl]methanimine

SMILES

C(c(cc1)ccc1C#Cc1ccccc1)=N/c1cc2ccccc2cc1

InChI

InChI=1S/C25H17N/c1-2-6-20(7-3-1)10-11-21-12-14-22(15-13-21)19-26-25-17-16-23-8-4-5-9-24(23)18-25/h1-9,12-19H

InChI Key

ICKPBPURGIWREG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00365384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.944

Distribution Coefficient, logD

6.943

Water Solubility, LogSw

-7.24

Polar Surface Area

7.823

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-4394 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 8003-4394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4394?
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What is the minimum amount of 8003-4394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4394
  • 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 8003-4394 available by request