D226-0159 Screening compound: 7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0159 Screening compound: 7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0159 Screening compound: 7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0159
7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-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

D226-0159

Molecular Formula

C13H15N5O3S2 (C13 H15 N5 O3 S2)

Compound Name

7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(2-methoxyethyl)-3-methyl-8-[(4-methyl-13-thiazol-2-yl)sulfanyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1csc(Sc2nc(N(C)C(NC3=O)=O)c3n2CCOC)n1

InChI

InChI=1S/C13H15N5O3S2/c1-7-6-22-13(14-7)23-12-15-9-8(18(12)4-5-21-3)10(19)16-11(20)17(9)2/h6H,4-5H2,1-3H3,(H,16,19,20)

InChI Key

JBYHXINHJVHHKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-2.61

Polar Surface Area

69.694

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D226-0159 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D226-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0159?
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What is the minimum amount of D226-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0159
  • 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 D226-0159 available by request