J095-0254 Screening compound: 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

J095-0254 Screening compound: 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
J095-0254 Screening compound: 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0254
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)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

J095-0254

Molecular Formula

C17H19N5O2S (C17 H19 N5 O2 S)

Compound Name

2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

IUPAC name

2-[(29-dimethyl-6-oxo-69-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSc(n1C)nc2c1N=C(C)NC2=O)=O

InChI

InChI=1S/C17H19N5O2S/c1-4-11-5-7-12(8-6-11)20-13(23)9-25-17-21-14-15(22(17)3)18-10(2)19-16(14)24/h5-8H,4,9H2,1-3H3,(H,20,23)(H,18,19,24)

InChI Key

JDHRZPUFFSIRFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.44

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

2.569

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.92

Polar Surface Area

69.562

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with J095-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0254?
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What is the minimum amount of J095-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0254
  • 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 J095-0254 available by request