T167-0863 Screening compound: N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide

T167-0863 Screening compound: N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
T167-0863 Screening compound: N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T167-0863
N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide

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

T167-0863

Molecular Formula

C20H26N4O2 (C20 H26 N4 O2)

Compound Name

N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide

IUPAC name

N-[1-(1-ethyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-4-yl]-25-dimethylbenzamide

SMILES

CCN1N=CC(N(CC2)CCC2NC(c2c(C)ccc(C)c2)=O)=CC1=O

InChI

InChI=1S/C20H26N4O2/c1-4-24-19(25)12-17(13-21-24)23-9-7-16(8-10-23)22-20(26)18-11-14(2)5-6-15(18)3/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,22,26)

InChI Key

FYDIYZVGGGGNRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.730

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.01

Polar Surface Area

56.436

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T167-0863 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T167-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T167-0863?
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What is the minimum amount of T167-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T167-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T167-0863
  • 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 T167-0863 available by request