T424-0868 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

T424-0868 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide
T424-0868 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T424-0868
1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}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

T424-0868

Molecular Formula

C25H25F3N4O2 (C25 H25 F3 N4 O2)

Compound Name

1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

IUPAC name

1-(1-benzyl-6-oxo-16-dihydropyridazin-4-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(C=NN1Cc2ccccc2)=CC1=O)NCc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C25H25F3N4O2/c26-25(27,28)22-11-5-4-9-19(22)14-29-24(34)20-10-6-12-31(17-20)21-13-23(33)32(30-15-21)16-18-7-2-1-3-8-18/h1-5,7-9,11,13,15,20H,6,10,12,14,16-17H2,(H,29,34)/t20-/m0/s1

InChI Key

GXLLBMHKZJGXRA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29022619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.71

Polar Surface Area

56.840

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

T424-0868 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T424-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T424-0868?
Check Price and Availability of T424-0868, 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 T424-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T424-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T424-0868
  • 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 T424-0868 available by request