J095-0264 Screening compound: 2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-ethyl-N-phenylacetamide
Chemical Structure Depiction of ChemDiv screening compound J095-0264
2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-ethyl-N-phenylacetamide
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
J095-0264
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-ethyl-N-phenylacetamide
IUPAC name
2-[(29-dimethyl-6-oxo-69-dihydro-1H-purin-8-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILES
CCN(C(CSc(n1C)nc2c1N=C(C)NC2=O)=O)c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
357.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.973
Distribution Coefficient, logD
1.973
Water Solubility, LogSw
-2.45
Polar Surface Area
61.504
Acid Dissociation Constant (pKa)
11.02
Base Dissociation Constant (pKb)
3.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.40
References: we are preparing a list of scientific research reports with J095-0264 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)