D226-0156 Screening compound: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0156 Screening compound: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0156 Screening compound: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0156
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-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

D226-0156

Molecular Formula

C13H13N5O2S2 (C13 H13 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1csc(Sc2nc(N(C)C(NC3=O)=O)c3n2CC=C)n1

InChI

InChI=1S/C13H13N5O2S2/c1-4-5-18-8-9(17(3)11(20)16-10(8)19)15-12(18)22-13-14-7(2)6-21-13/h4,6H,1,5H2,2-3H3,(H,16,19,20)

InChI Key

VGUQVCQXXCXSIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.698

Water Solubility, LogSw

-2.99

Polar Surface Area

61.351

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D226-0156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with D226-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0156?
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What is the minimum amount of D226-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0156
  • 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 D226-0156 available by request