G856-0188 Screening compound: methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate

G856-0188 Screening compound: methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate
G856-0188 Screening compound: methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-0188
methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate

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

G856-0188

Molecular Formula

C15H13N5O3S (C15 H13 N5 O3 S)

Compound Name

methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate

IUPAC name

methyl 2-[2-(7H-purin-6-ylsulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSc1ncnc2c1[nH]cn2)=O)=O

InChI

InChI=1S/C15H13N5O3S/c1-23-15(22)9-4-2-3-5-10(9)20-11(21)6-24-14-12-13(17-7-16-12)18-8-19-14/h2-5,7-8H,6H2,1H3,(H,20,21)(H,16,17,18,19)

InChI Key

VLASKOXBDJYJQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06250250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.340

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-2.40

Polar Surface Area

86.160

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

G856-0188 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-0188?
Check Price and Availability of G856-0188, 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 G856-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-0188
  • 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 G856-0188 available by request