J095-0026 Screening compound: N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

J095-0026 Screening compound: N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
J095-0026 Screening compound: N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0026
N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

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

J095-0026

Molecular Formula

C16H17N5O2S (C16 H17 N5 O2 S)

Compound Name

N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide

IUPAC name

N-(3-ethylphenyl)-2-[(9-methyl-6-oxo-69-dihydro-1H-purin-8-yl)sulfanyl]acetamide

SMILES

CCc1cccc(NC(CSc(n2C)nc3c2N=CNC3=O)=O)c1

InChI

InChI=1S/C16H17N5O2S/c1-3-10-5-4-6-11(7-10)19-12(22)8-24-16-20-13-14(21(16)2)17-9-18-15(13)23/h4-7,9H,3,8H2,1-2H3,(H,19,22)(H,17,18,23)

InChI Key

CSUYWGYADBZRLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.47

Polar Surface Area

71.662

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J095-0026 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

STING Agonist Library (5895 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

References: we are preparing a list of scientific research reports with J095-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0026?
Check Price and Availability of J095-0026, 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 J095-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0026
  • 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 J095-0026 available by request