6502-0187 Screening compound: 6-amino-9-[2-(1-naphthyloxy)ethyl]-9H-purin-8-ylhydrosulfide

6502-0187 Screening compound: 6-amino-9-[2-(1-naphthyloxy)ethyl]-9H-purin-8-ylhydrosulfide
6502-0187 Screening compound: 6-amino-9-[2-(1-naphthyloxy)ethyl]-9H-purin-8-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6502-0187
6-amino-9-[2-(1-naphthyloxy)ethyl]-9H-purin-8-ylhydrosulfide

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

6502-0187

Molecular Formula

C17H15N5OS (C17 H15 N5 OS)

Compound Name

6-amino-9-[2-(1-naphthyloxy)ethyl]-9H-purin-8-ylhydrosulfide

IUPAC name

6-amino-9-[2-(naphthalen-1-yloxy)ethyl]-9H-purine-8-thiol

SMILES

Nc1ncnc(n2CCOc3cccc4ccccc34)c1nc2S

InChI

InChI=1S/C17H15N5OS/c18-15-14-16(20-10-19-15)22(17(24)21-14)8-9-23-13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8-9H2,(H,21,24)(H2,18,19,20)

InChI Key

GVUYNDMPQWDKAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.41

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

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-4.08

Polar Surface Area

58.570

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

6502-0187 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

STING Agonist Library (5895 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Immune system
Structure:
  • Mimetics
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6502-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6502-0187?
Check Price and Availability of 6502-0187, 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 6502-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6502-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6502-0187
  • 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 6502-0187 available by request