T167-1204 Screening compound: N-[1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide

T167-1204 Screening compound: N-[1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide
T167-1204 Screening compound: N-[1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T167-1204
N-[1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide

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

T167-1204

Molecular Formula

C22H24N4O2S (C22 H24 N4 O2 S)

Compound Name

N-[1-(1-benzyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide

IUPAC name

N-[1-(1-benzyl-6-oxo-16-dihydropyridazin-4-yl)piperidin-4-yl]-2-(thiophen-2-yl)acetamide

SMILES

O=C(Cc1cccs1)NC(CC1)CCN1C(C=NN1Cc2ccccc2)=CC1=O

InChI

InChI=1S/C22H24N4O2S/c27-21(14-20-7-4-12-29-20)24-18-8-10-25(11-9-18)19-13-22(28)26(23-15-19)16-17-5-2-1-3-6-17/h1-7,12-13,15,18H,8-11,14,16H2,(H,24,27)

InChI Key

ISJPTJAEBCRIAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.54

Polar Surface Area

57.245

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

T167-1204 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 T167-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T167-1204?
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What is the minimum amount of T167-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T167-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T167-1204
  • 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 T167-1204 available by request