8019-0679 Screening compound: 5,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione
Chemical Structure Depiction of ChemDiv screening compound 8019-0679
5,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione
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
8019-0679
Molecular Formula
C12H11NO5 (C12 H11 NO5)
Compound Name
5,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione
IUPAC name
57-dimethoxy-2-methyl-1234-tetrahydroisoquinoline-134-trione
SMILES
CN(C(c(cc(cc1OC)OC)c1C1=O)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
249.22
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.312
Distribution Coefficient, logD
0.312
Water Solubility, LogSw
-1.52
Polar Surface Area
57.483
Acid Dissociation Constant (pKa)
30.68
Base Dissociation Constant (pKb)
-5.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
8019-0679 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Cardiovascular Library (22201 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cardiovascular
- Agro
- Agro
References: we are preparing a list of scientific research reports with 8019-0679 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)