T424-0422 Screening compound: 1-(1-METHYL-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)-N-[2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]PIPERIDINE-3-CARBOXAMIDE

T424-0422 Screening compound: 1-(1-METHYL-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)-N-[2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]PIPERIDINE-3-CARBOXAMIDE
T424-0422 Screening compound: 1-(1-METHYL-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)-N-[2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]PIPERIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T424-0422
1-(1-METHYL-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)-N-[2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]PIPERIDINE-3-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

T424-0422

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

1-(1-METHYL-6-OXO-1,6-DIHYDROPYRIDAZIN-4-YL)-N-[2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]PIPERIDINE-3-CARBOXAMIDE

IUPAC name

1-(1-methyl-6-oxo-16-dihydropyridazin-4-yl)-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]piperidine-3-carboxamide

SMILES

CN1N=CC(N(CCC2)CC2C(NCCN(CC2)Cc3c2cccc3)=O)=CC1=O

InChI

InChI=1S/C22H29N5O2/c1-25-21(28)13-20(14-24-25)27-10-4-7-19(16-27)22(29)23-9-12-26-11-8-17-5-2-3-6-18(17)15-26/h2-3,5-6,13-14,19H,4,7-12,15-16H2,1H3,(H,23,29)/t19-/m0/s1

InChI Key

BFNNVQPABLUNNB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29022468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.327

Distribution Coefficient, logD

0.834

Water Solubility, LogSw

-2.05

Polar Surface Area

60.277

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T424-0422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T424-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T424-0422?
Check Price and Availability of T424-0422, 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 T424-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T424-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T424-0422
  • 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 T424-0422 available by request