D226-0106 Screening compound: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0106 Screening compound: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0106 Screening compound: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0106
3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

D226-0106

Molecular Formula

C18H24N8O2S (C18 H24 N8 O2 S)

Compound Name

3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(CC1)CCN1c1nc(N(C)C(NC2=O)=O)c2n1CCCSc1ncccn1

InChI

InChI=1S/C18H24N8O2S/c1-23-8-10-25(11-9-23)17-21-14-13(15(27)22-18(28)24(14)2)26(17)7-4-12-29-16-19-5-3-6-20-16/h3,5-6H,4,7-12H2,1-2H3,(H,22,27,28)

InChI Key

KMHLYRJSKVIOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.115

Distribution Coefficient, logD

-0.490

Water Solubility, LogSw

-2.32

Polar Surface Area

76.224

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D226-0106 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D226-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0106?
Check Price and Availability of D226-0106, 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 D226-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0106
  • 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 D226-0106 available by request