D226-0123 Screening compound: 1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione

D226-0123 Screening compound: 1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione
D226-0123 Screening compound: 1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0123
1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-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

D226-0123

Molecular Formula

C8H8N4O2S (C8 H8 N4 O2 S)

Compound Name

1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione

IUPAC name

1-methyl-1H2H3H4H6H7H-[13]thiazolo[32-g]purine-24-dione

SMILES

CN(c1c(C(N2)=O)n(CCS3)c3n1)C2=O

InChI

InChI=1S/C8H8N4O2S/c1-11-5-4(6(13)10-7(11)14)12-2-3-15-8(12)9-5/h2-3H2,1H3,(H,10,13,14)

InChI Key

QBOGJOMSDSCRNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00540543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.606

Distribution Coefficient, logD

0.605

Water Solubility, LogSw

-1.89

Polar Surface Area

52.150

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D226-0123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D226-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0123?
Check Price and Availability of D226-0123, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D226-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0123
  • 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 D226-0123 available by request