8002-6309 Screening compound: (E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}methanimine

8002-6309 Screening compound: (E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}methanimine
8002-6309 Screening compound: (E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6309
(E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}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

8002-6309

Molecular Formula

C42H28N2 (C42 H28 N2)

Compound Name

(E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[1,1'-biphenyl]-4-yl}methanimine

IUPAC name

(E)-1-[4-(2-phenylethynyl)phenyl]-N-{4'-[(E)-{[4-(2-phenylethynyl)phenyl]methylidene}amino]-[11'-biphenyl]-4-yl}methanimine

SMILES

C(c(cc1)ccc1C#Cc1ccccc1)=N/c(cc1)ccc1-c(cc1)ccc1/N=C/c(cc1)ccc1C#Cc1ccccc1

InChI

InChI=1S/C42H28N2/c1-3-7-33(8-4-1)11-13-35-15-19-37(20-16-35)31-43-41-27-23-39(24-28-41)40-25-29-42(30-26-40)44-32-38-21-17-36(18-22-38)14-12-34-9-5-2-6-10-34/h1-10,15-32H

InChI Key

PYMVHNKBULZKHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00305929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

11.017

Distribution Coefficient, logD

11.010

Water Solubility, LogSw

-6.80

Polar Surface Area

15.679

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-6309 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-6309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6309?
Check Price and Availability of 8002-6309, 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 8002-6309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6309
  • 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 8002-6309 available by request