6268-0945 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-thiol

6268-0945 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-thiol
6268-0945 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6268-0945
6-amino-9-[2-(2-methylphenoxy)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

6268-0945

Molecular Formula

C14H15N5OS (C14 H15 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCCn1c(S)nc2c1ncnc2N

InChI

InChI=1S/C14H15N5OS/c1-9-4-2-3-5-10(9)20-7-6-19-13-11(18-14(19)21)12(15)16-8-17-13/h2-5,8H,6-7H2,1H3,(H,18,21)(H2,15,16,17)

InChI Key

OFUFTFXDVVWJKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.646

Water Solubility, LogSw

-2.71

Polar Surface Area

58.841

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6268-0945 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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

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

References: we are preparing a list of scientific research reports with 6268-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6268-0945?
Check Price and Availability of 6268-0945, 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 6268-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6268-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6268-0945
  • 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 6268-0945 available by request