3238-0520 Screening compound: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Chemical Structure Depiction of ChemDiv screening compound 3238-0520
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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
3238-0520
Molecular Formula
C23H21Cl2N5O2 (C23 H21 Cl2 N5 O2)
Compound Name
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC name
7-[(34-dichlorophenyl)methyl]-13-dimethyl-8-(1234-tetrahydroisoquinolin-2-yl)-2367-tetrahydro-1H-purine-26-dione
SMILES
CN(c1c(C(N2C)=O)n(Cc(cc3)cc(Cl)c3Cl)c(N(CC3)Cc4c3cccc4)n1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
470.36
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.620
Distribution Coefficient, logD
5.620
Water Solubility, LogSw
-5.92
Polar Surface Area
45.359
Acid Dissociation Constant (pKa)
19.81
Base Dissociation Constant (pKb)
4.47
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.10
References: we are preparing a list of scientific research reports with 3238-0520 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)