D226-0072 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0072 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0072 Screening compound: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0072
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-3-methyl-8-(piperidin-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

D226-0072

Molecular Formula

C19H25N7O2S (C19 H25 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(SCCn2c(N3CCCCC3)nc(N(C)C(N3)=O)c2C3=O)nc(C)c1

InChI

InChI=1S/C19H25N7O2S/c1-12-11-13(2)21-17(20-12)29-10-9-26-14-15(24(3)19(28)23-16(14)27)22-18(26)25-7-5-4-6-8-25/h11H,4-10H2,1-3H3,(H,23,27,28)

InChI Key

PMZWYXKZCCRHAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05241039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.78

Polar Surface Area

71.496

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

D226-0072 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D226-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0072?
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What is the minimum amount of D226-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0072
  • 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 D226-0072 available by request