T583-0196 Screening compound: 4-(1-azepanylmethyl)-1-methyl-2(1H)-pyridinone

T583-0196 Screening compound: 4-(1-azepanylmethyl)-1-methyl-2(1H)-pyridinone
T583-0196 Screening compound: 4-(1-azepanylmethyl)-1-methyl-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T583-0196
4-(1-azepanylmethyl)-1-methyl-2(1H)-pyridinone

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

T583-0196

Molecular Formula

C13H20N2O (C13 H20 N2 O)

Compound Name

4-(1-azepanylmethyl)-1-methyl-2(1H)-pyridinone

IUPAC name

4-[(azepan-1-yl)methyl]-1-methyl-12-dihydropyridin-2-one

SMILES

CN(C=CC(CN1CCCCCC1)=C1)C1=O

InChI

InChI=1S/C13H20N2O/c1-14-9-6-12(10-13(14)16)11-15-7-4-2-3-5-8-15/h6,9-10H,2-5,7-8,11H2,1H3

InChI Key

VYJMZMHUVFCHCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.937

Distribution Coefficient, logD

-1.710

Water Solubility, LogSw

-0.59

Polar Surface Area

20.281

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

T583-0196 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T583-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T583-0196?
Check Price and Availability of T583-0196, 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 T583-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T583-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T583-0196
  • 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 T583-0196 available by request