D179-0082 Screening compound: 8-acetyl-2-(dimethylamino)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one

D179-0082 Screening compound: 8-acetyl-2-(dimethylamino)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one
D179-0082 Screening compound: 8-acetyl-2-(dimethylamino)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0082
8-acetyl-2-(dimethylamino)-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

D179-0082

Molecular Formula

C9H13N5O2 (C9 H13 N5 O2)

Compound Name

8-acetyl-2-(dimethylamino)-4H,6H,7H,8H-imidazo[1,2-a][1,3,5]triazin-4-one

IUPAC name

8-acetyl-2-(dimethylamino)-4H6H7H8H-imidazo[12-a][135]triazin-4-one

SMILES

CC(N(CCN12)C2=NC(N(C)C)=NC1=O)=O

InChI

InChI=1S/C9H13N5O2/c1-6(15)13-4-5-14-8(13)10-7(12(2)3)11-9(14)16/h4-5H2,1-3H3

InChI Key

DTWDGQSDOLRHNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08069665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.935

Distribution Coefficient, logD

-0.935

Water Solubility, LogSw

0.47

Polar Surface Area

56.165

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D179-0082 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS MPO Library (28609 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D179-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0082?
Check Price and Availability of D179-0082, 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 D179-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0082
  • 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 D179-0082 available by request