8019-8211 Screening compound: ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8019-8211
ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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
8019-8211
Molecular Formula
C25H31N7O5 (C25 H31 N7 O5)
Compound Name
ethyl 6-{[1,3-dimethyl-2,6-dioxo-8-(propylamino)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC name
ethyl 6-{[13-dimethyl-26-dioxo-8-(propylamino)-2367-tetrahydro-1H-purin-7-yl]methyl}-1-methyl-2-oxo-4-phenyl-1234-tetrahydropyrimidine-5-carboxylate
SMILES
CCCNc1nc(N(C)C(N(C)C2=O)=O)c2n1CC(N(C)C(NC1c2ccccc2)=O)=C1C(OCC)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
509.57
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
2.819
Distribution Coefficient, logD
2.817
Water Solubility, LogSw
-3.10
Polar Surface Area
103.511
Acid Dissociation Constant (pKa)
9.72
Base Dissociation Constant (pKb)
4.33
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with 8019-8211 chemical compound. It will be published here after verification.
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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)