F707-1954 Screening compound: 8-{1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

F707-1954 Screening compound: 8-{1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
F707-1954 Screening compound: 8-{1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound F707-1954
8-{1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

F707-1954

Molecular Formula

C24H27ClN6O3 (C24 H27 ClN6 O3)

Compound Name

8-{1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[3-(4-chlorophenyl)-[124]triazolo[43-b]pyridazin-6-yl]piperidine-4-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C(CC1)CCN1c1nn2c(-c(cc3)ccc3Cl)nnc2cc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C24H27ClN6O3/c25-19-3-1-17(2-4-19)22-27-26-20-5-6-21(28-31(20)22)29-11-7-18(8-12-29)23(32)30-13-9-24(10-14-30)33-15-16-34-24/h1-6,18H,7-16H2

InChI Key

FANFSOCPYWNTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.47

Polar Surface Area

66.398

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F707-1954 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F707-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F707-1954?
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What is the minimum amount of F707-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F707-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F707-1954
  • 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 F707-1954 available by request