G856-0185 Screening compound: ethyl 2-(9H-purin-6-ylsulfanyl)butanoate

G856-0185 Screening compound: ethyl 2-(9H-purin-6-ylsulfanyl)butanoate
G856-0185 Screening compound: ethyl 2-(9H-purin-6-ylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0185
ethyl 2-(9H-purin-6-ylsulfanyl)butanoate

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

G856-0185

Molecular Formula

C11H14N4O2S (C11 H14 N4 O2 S)

Compound Name

ethyl 2-(9H-purin-6-ylsulfanyl)butanoate

IUPAC name

ethyl 2-(9H-purin-6-ylsulfanyl)butanoate

SMILES

CCC(C(OCC)=O)Sc1ncnc2c1nc[nH]2

InChI

InChI=1S/C11H14N4O2S/c1-3-7(11(16)17-4-2)18-10-8-9(13-5-12-8)14-6-15-10/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)/t7-/m0/s1

InChI Key

HNCRQQNMLJEWID-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD02675956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-2.27

Polar Surface Area

63.560

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

G856-0185 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G856-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0185?
Check Price and Availability of G856-0185, 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 G856-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0185
  • 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 G856-0185 available by request