D226-0082 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0082 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0082 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0082
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(morpholin-4-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

D226-0082

Molecular Formula

C18H23N7O3S (C18 H23 N7 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCCn2c(N3CCOCC3)nc(N(C)C(N3)=O)c2C3=O)nc(C)c1

InChI

InChI=1S/C18H23N7O3S/c1-11-10-12(2)20-16(19-11)29-9-6-25-13-14(23(3)18(27)22-15(13)26)21-17(25)24-4-7-28-8-5-24/h10H,4-9H2,1-3H3,(H,22,26,27)

InChI Key

AQXUVCJBXCBVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08003323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.368

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.43

Polar Surface Area

79.404

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D226-0082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0082?
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What is the minimum amount of D226-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0082
  • 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 D226-0082 available by request