C138-0481 Screening compound: 6,7-dimethoxy-N-(2-methoxyethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C138-0481
6,7-dimethoxy-N-(2-methoxyethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
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
C138-0481
Molecular Formula
C20H24N2O5S (C20 H24 N2 O5 S)
Compound Name
6,7-dimethoxy-N-(2-methoxyethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
IUPAC name
67-dimethoxy-N-(2-methoxyethyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide
SMILES
CN(C(C(C(NCCOC)=O)c(cc1OC)c2cc1OC)c1cccs1)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
404.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.160
Distribution Coefficient, logD
1.160
Water Solubility, LogSw
-2.41
Polar Surface Area
64.836
Acid Dissociation Constant (pKa)
12.60
Base Dissociation Constant (pKb)
-1.34
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
40.00
C138-0481 in Drug Discovery
Included in Screening Libraries
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- PPI modulators
References: we are preparing a list of scientific research reports with C138-0481 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)