8451-07187 Screening compound: 7,7-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
Chemical Structure Depiction of ChemDiv screening compound 8451-07187
7,7-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
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
8451-07187
Molecular Formula
C19H21N3O (C19 H21 N3 O)
Compound Name
7,7-dimethyl-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one
IUPAC name
77-dimethyl-2-(1234-tetrahydroisoquinolin-2-yl)-5678-tetrahydroquinazolin-5-one
SMILES
CC(C)(Cc1c2cnc(N(CC3)Cc4c3cccc4)n1)CC2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
307.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.230
Distribution Coefficient, logD
3.230
Water Solubility, LogSw
-3.28
Polar Surface Area
36.042
Acid Dissociation Constant (pKa)
17.31
Base Dissociation Constant (pKb)
1.14
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.10
8451-07187 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
Human Receptors Annotated Library (5376 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Agro
- GPCR
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with 8451-07187 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)