D068-0246 Screening compound: 8-ethyl-2-(piperidin-1-yl)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one

D068-0246 Screening compound: 8-ethyl-2-(piperidin-1-yl)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one
D068-0246 Screening compound: 8-ethyl-2-(piperidin-1-yl)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0246
8-ethyl-2-(piperidin-1-yl)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one

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

D068-0246

Molecular Formula

C12H19N5O (C12 H19 N5 O)

Compound Name

8-ethyl-2-(piperidin-1-yl)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one

IUPAC name

8-ethyl-2-(piperidin-1-yl)-4H6H7H8H-imidazo[12-a][135]triazin-4-one

SMILES

CCN(CCN12)C2=NC(N2CCCCC2)=NC1=O

InChI

InChI=1S/C12H19N5O/c1-2-15-8-9-17-11(15)13-10(14-12(17)18)16-6-4-3-5-7-16/h2-9H2,1H3

InChI Key

QEYFFMDYQZEMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06123456

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

249.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.037

Distribution Coefficient, logD

1.037

Water Solubility, LogSw

-0.87

Polar Surface Area

43.319

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

D068-0246 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D068-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0246?
Check Price and Availability of D068-0246, 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 D068-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0246
  • 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 D068-0246 available by request