D585-0252 Screening compound: 2-(methylsulfanyl)-9H-purin-6-ol

D585-0252 Screening compound: 2-(methylsulfanyl)-9H-purin-6-ol
D585-0252 Screening compound: 2-(methylsulfanyl)-9H-purin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0252
2-(methylsulfanyl)-9H-purin-6-ol

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

D585-0252

Molecular Formula

C6H6N4OS (C6 H6 N4 OS)

Compound Name

2-(methylsulfanyl)-9H-purin-6-ol

IUPAC name

2-(methylsulfanyl)-9H-purin-6-ol

SMILES

CSc1nc(O)c2nc[nH]c2n1

InChI

InChI=1S/C6H6N4OS/c1-12-6-9-4-3(5(11)10-6)7-2-8-4/h2H,1H3,(H2,7,8,9,10,11)

InChI Key

OTLARBCFYJPBDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22577761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.211

Distribution Coefficient, logD

-0.550

Water Solubility, LogSw

-1.92

Polar Surface Area

57.118

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D585-0252 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D585-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0252?
Check Price and Availability of D585-0252, 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 D585-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0252
  • 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 D585-0252 available by request