8009-3325 Screening compound: (E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl cyanide

8009-3325 Screening compound: (E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl cyanide
8009-3325 Screening compound: (E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3325
(E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl 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

8009-3325

Molecular Formula

C15H18FN5 (C15 H18 FN5)

Compound Name

(E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl cyanide

IUPAC name

(E)-2-(azepan-1-yl)-N-(4-fluorophenyl)-2-iminoethanecarbohydrazonoyl cyanide

SMILES

N=C(/C(/C#N)=N/Nc(cc1)ccc1F)N1CCCCCC1

InChI

InChI=1S/C15H18FN5/c16-12-5-7-13(8-6-12)19-20-14(11-17)15(18)21-9-3-1-2-4-10-21/h5-8,18-19H,1-4,9-10H2

InChI Key

WQYBDDGWPPVYBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.52

Polar Surface Area

59.643

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8009-3325 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-3325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3325?
Check Price and Availability of 8009-3325, 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 8009-3325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3325
  • 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 8009-3325 available by request