5206-0031 Screening compound: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-9H-purine-8-thiol

5206-0031 Screening compound: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-9H-purine-8-thiol
5206-0031 Screening compound: 6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-9H-purine-8-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5206-0031
6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-9H-purine-8-thiol

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

5206-0031

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-9H-purine-8-thiol

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1OCCn1c(S)nc2c1ncnc2N

InChI

InChI=1S/C15H17N5O2S/c1-2-21-10-3-5-11(6-4-10)22-8-7-20-14-12(19-15(20)23)13(16)17-9-18-14/h3-6,9H,2,7-8H2,1H3,(H,19,23)(H2,16,17,18)

InChI Key

CPVQNKHOVSEOTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.605

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-2.71

Polar Surface Area

65.878

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5206-0031 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
Structure:
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5206-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5206-0031?
Check Price and Availability of 5206-0031, 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 5206-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5206-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5206-0031
  • 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 5206-0031 available by request