D226-0126 Screening compound: 3-butyl-1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione

D226-0126 Screening compound: 3-butyl-1-methyl-1H,2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-g]purine-2,4-dione
D226-0126 Screening compound: 3-butyl-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 D226-0126
3-butyl-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

D226-0126

Molecular Formula

C12H16N4O2S (C12 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c(N2C)nc3SCCn13)=O)C2=O

InChI

InChI=1S/C12H16N4O2S/c1-3-4-5-16-10(17)8-9(14(2)12(16)18)13-11-15(8)6-7-19-11/h3-7H2,1-2H3

InChI Key

BDSYBDMYLUSPEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-2.04

Polar Surface Area

43.449

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

D226-0126 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D226-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0126?
Check Price and Availability of D226-0126, 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 D226-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0126
  • 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 D226-0126 available by request