6141-0002 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-sulfonic acid

6141-0002 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-sulfonic acid
6141-0002 Screening compound: 6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6141-0002
6-amino-9-[2-(2-methylphenoxy)ethyl]-9H-purine-8-sulfonic acid

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

6141-0002

Molecular Formula

C14H15N5O4S (C14 H15 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCCn1c(S(O)(=O)=O)nc2c1ncnc2N

InChI

InChI=1S/C14H15N5O4S/c1-9-4-2-3-5-10(9)23-7-6-19-13-11(12(15)16-8-17-13)18-14(19)24(20,21)22/h2-5,8H,6-7H2,1H3,(H2,15,16,17)(H,20,21,22)

InChI Key

YRRPTDXRQIIGPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03928128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.228

Distribution Coefficient, logD

-13.792

Water Solubility, LogSw

-1.79

Polar Surface Area

103.153

Acid Dissociation Constant (pKa)

-3.34

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6141-0002 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Structure:
  • Mimetics
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 6141-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6141-0002?
Check Price and Availability of 6141-0002, 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 6141-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6141-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6141-0002
  • 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 6141-0002 available by request