8006-7712 Screening compound: 1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl cyanide

8006-7712 Screening compound: 1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl cyanide
8006-7712 Screening compound: 1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7712
1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl 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

8006-7712

Molecular Formula

C10H5F3N4 (C10 H5 F3 N4)

Compound Name

1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl cyanide

IUPAC name

1-cyano-N-[2-(trifluoromethyl)phenyl]methanecarbohydrazonoyl cyanide

SMILES

N#CC(C#N)=NNc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C10H5F3N4/c11-10(12,13)8-3-1-2-4-9(8)17-16-7(5-14)6-15/h1-4,17H

InChI Key

LMFPADXPOKBSAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00042196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.86

Polar Surface Area

54.742

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8006-7712 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-7712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7712?
Check Price and Availability of 8006-7712, 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 8006-7712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7712
  • 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 8006-7712 available by request