F707-2005 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

F707-2005 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
F707-2005 Screening compound: 1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F707-2005
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

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

F707-2005

Molecular Formula

C27H29ClN6O (C27 H29 ClN6 O)

Compound Name

1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-[3-(4-chlorophenyl)-[124]triazolo[43-b]pyridazin-6-yl]-N-[1-(24-dimethylphenyl)ethyl]piperidine-4-carboxamide

SMILES

CC(c1c(C)cc(C)cc1)NC(C(CC1)CCN1c1nn2c(-c(cc3)ccc3Cl)nnc2cc1)=O

InChI

InChI=1S/C27H29ClN6O/c1-17-4-9-23(18(2)16-17)19(3)29-27(35)21-12-14-33(15-13-21)25-11-10-24-30-31-26(34(24)32-25)20-5-7-22(28)8-6-20/h4-11,16,19,21H,12-15H2,1-3H3,(H,29,35)/t19-/m0/s1

InChI Key

HTNBKDHVXCPTDY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14964328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.524

Distribution Coefficient, logD

5.524

Water Solubility, LogSw

-5.98

Polar Surface Area

58.889

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F707-2005 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F707-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F707-2005?
Check Price and Availability of F707-2005, 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 F707-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F707-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F707-2005
  • 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 F707-2005 available by request