J095-0248 Screening compound: 2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one

J095-0248 Screening compound: 2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one
J095-0248 Screening compound: 2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0248
2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one

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

J095-0248

Molecular Formula

C15H16N4OS (C15 H16 N4 OS)

Compound Name

2,9-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one

IUPAC name

29-dimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-69-dihydro-1H-purin-6-one

SMILES

Cc1c(CSc(n2C)nc3c2N=C(C)NC3=O)cccc1

InChI

InChI=1S/C15H16N4OS/c1-9-6-4-5-7-11(9)8-21-15-18-12-13(19(15)3)16-10(2)17-14(12)20/h4-7H,8H2,1-3H3,(H,16,17,20)

InChI Key

DOCJJWPKJXHQIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.24

Polar Surface Area

46.412

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

J095-0248 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J095-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0248?
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What is the minimum amount of J095-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0248
  • 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 J095-0248 available by request