D226-0163 Screening compound: 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0163 Screening compound: 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0163 Screening compound: 8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0163
8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-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

D226-0163

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(2-hydroxypropyl)sulfanyl]-3-methyl-7-[(3-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(CSc1nc(N(C)C(NC2=O)=O)c2n1Cc1cc(C)ccc1)O

InChI

InChI=1S/C17H20N4O3S/c1-10-5-4-6-12(7-10)8-21-13-14(18-17(21)25-9-11(2)22)20(3)16(24)19-15(13)23/h4-7,11,22H,8-9H2,1-3H3,(H,19,23,24)/t11-/m0/s1

InChI Key

LLZLKHRQUWGUCX-NSHDSACASA-N

MDL Number (MFCD)

MFCD01186393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.704

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.04

Polar Surface Area

68.678

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D226-0163 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D226-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0163?
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What is the minimum amount of D226-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0163
  • 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 D226-0163 available by request