8451-07216 Screening compound: [(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl piperidine-1-carbodithioate
Chemical Structure Depiction of ChemDiv screening compound 8451-07216
[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl piperidine-1-carbodithioate
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
8451-07216
Molecular Formula
C22H24N4O2S2 (C22 H24 N4 O2 S2)
Compound Name
[(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl piperidine-1-carbodithioate
IUPAC name
[(5-oxo-7-phenyl-5678-tetrahydroquinazolin-2-yl)carbamoyl]methyl piperidine-1-carbodithioate
SMILES
O=C(CSC(N1CCCCC1)=S)Nc(nc1)nc(CC(C2)c3ccccc3)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.59
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.856
Distribution Coefficient, logD
3.762
Water Solubility, LogSw
-3.86
Polar Surface Area
60.833
Acid Dissociation Constant (pKa)
8.02
Base Dissociation Constant (pKb)
5.39
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.90
References: we are preparing a list of scientific research reports with 8451-07216 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)