8002-8448 Screening compound: (3E,5E,7E)-1-cyano-8-phenyl-1,3,5,7-octatetraenyl cyanide

8002-8448 Screening compound: (3E,5E,7E)-1-cyano-8-phenyl-1,3,5,7-octatetraenyl cyanide
8002-8448 Screening compound: (3E,5E,7E)-1-cyano-8-phenyl-1,3,5,7-octatetraenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8448
(3E,5E,7E)-1-cyano-8-phenyl-1,3,5,7-octatetraenyl cyanide

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

8002-8448

Molecular Formula

C16H12N2 (C16 H12 N2)

Compound Name

(3E,5E,7E)-1-cyano-8-phenyl-1,3,5,7-octatetraenyl cyanide

IUPAC name

n/a

SMILES

N#CC(C#N)=C/C=C/C=C/C=C/c1ccccc1

InChI

InChI=1S/C16H12N2/c17-13-16(14-18)12-6-3-1-2-5-9-15-10-7-4-8-11-15/h1-12H

InChI Key

HPVVZFHDTASVFI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.42

Polar Surface Area

34.351

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-8448 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-8448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8448?
Check Price and Availability of 8002-8448, 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 8002-8448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8448
  • 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 8002-8448 available by request