8007-6630 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

8007-6630 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane
8007-6630 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6630
1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

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

8007-6630

Molecular Formula

C12H14F3N5 (C12 H14 F3 N5)

Compound Name

1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azepane

IUPAC name

1-[3-(trifluoromethyl)-[124]triazolo[43-b]pyridazin-6-yl]azepane

SMILES

FC(c1nnc(cc2)n1nc2N1CCCCCC1)(F)F

InChI

InChI=1S/C12H14F3N5/c13-12(14,15)11-17-16-9-5-6-10(18-20(9)11)19-7-3-1-2-4-8-19/h5-6H,1-4,7-8H2

InChI Key

IVQNLZLTODPMKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-2.92

Polar Surface Area

35.916

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

8007-6630 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-6630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6630?
Check Price and Availability of 8007-6630, 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 8007-6630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6630
  • 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 8007-6630 available by request