T424-0014 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDINECARBOXAMIDE

T424-0014 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDINECARBOXAMIDE
T424-0014 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T424-0014
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDINECARBOXAMIDE

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

T424-0014

Molecular Formula

C18H20N4O4 (C18 H20 N4 O4)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1-(6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL)-3-PIPERIDINECARBOXAMIDE

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-(6-oxo-16-dihydropyridazin-4-yl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1C(C=NN1)=CC1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H20N4O4/c23-17-9-14(10-19-21-17)22-5-1-2-12(11-22)18(24)20-13-3-4-15-16(8-13)26-7-6-25-15/h3-4,8-10,12H,1-2,5-7,11H2,(H,20,24)(H,21,23)/t12-/m0/s1

InChI Key

DCBUJTMUSDBANZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29022341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.738

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-1.98

Polar Surface Area

81.016

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

T424-0014 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T424-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T424-0014?
Check Price and Availability of T424-0014, 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 T424-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T424-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T424-0014
  • 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 T424-0014 available by request