D226-0096 Screening compound: 3-methyl-8-(morpholin-4-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0096 Screening compound: 3-methyl-8-(morpholin-4-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0096 Screening compound: 3-methyl-8-(morpholin-4-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 D226-0096
3-methyl-8-(morpholin-4-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

D226-0096

Molecular Formula

C17H21N7O3S (C17 H21 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2)=O)n(CCCSc3ncccn3)c(N3CCOCC3)n1)C2=O

InChI

InChI=1S/C17H21N7O3S/c1-22-13-12(14(25)21-17(22)26)24(16(20-13)23-7-9-27-10-8-23)6-3-11-28-15-18-4-2-5-19-15/h2,4-5H,3,6-11H2,1H3,(H,21,25,26)

InChI Key

BZBFNWYUAWUMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04187877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.47

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

1.138

Distribution Coefficient, logD

1.138

Water Solubility, LogSw

-2.32

Polar Surface Area

80.656

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D226-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0096?
Check Price and Availability of D226-0096, 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 D226-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0096
  • 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 D226-0096 available by request