8008-4461 Screening compound: 6-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

8008-4461 Screening compound: 6-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
8008-4461 Screening compound: 6-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4461
6-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

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

8008-4461

Molecular Formula

C17H10F10N6 (C17 H10 F10 N6)

Compound Name

6-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

IUPAC name

1-[2356-tetrafluoro-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-[124]triazolo[43-b]pyridazin-6-yl]piperazine

SMILES

FC(c1nnc(cc2)n1nc2N(CC1)CCN1c(c(F)c(c(C(F)(F)F)c1F)F)c1F)(F)F

InChI

InChI=1S/C17H10F10N6/c18-10-9(16(22,23)24)11(19)13(21)14(12(10)20)32-5-3-31(4-6-32)8-2-1-7-28-29-15(17(25,26)27)33(7)30-8/h1-2H,3-6H2

InChI Key

FQUIFMDFGKPAFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.92

Polar Surface Area

38.243

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

8008-4461 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8008-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4461?
Check Price and Availability of 8008-4461, 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 8008-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4461
  • 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 8008-4461 available by request