D226-0066 Screening compound: 7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0066 Screening compound: 7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0066 Screening compound: 7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0066
7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-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

D226-0066

Molecular Formula

C21H29N7O2S (C21 H29 N7 O2 S)

Compound Name

7-{3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-{3-[(46-dimethylpyrimidin-2-yl)sulfanyl]propyl}-3-methyl-8-(4-methylpiperidin-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CC1)CCN1c1nc(N(C)C(NC2=O)=O)c2n1CCCSc1nc(C)cc(C)n1

InChI

InChI=1S/C21H29N7O2S/c1-13-6-9-27(10-7-13)20-24-17-16(18(29)25-21(30)26(17)4)28(20)8-5-11-31-19-22-14(2)12-15(3)23-19/h12-13H,5-11H2,1-4H3,(H,25,29,30)

InChI Key

IHHJXZXFDCJVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05241038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.62

Polar Surface Area

71.496

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

D226-0066 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0066?
Check Price and Availability of D226-0066, 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 D226-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0066
  • 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 D226-0066 available by request