8012-4133 Screening compound: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-ethoxyphenol
Chemical Structure Depiction of ChemDiv screening compound 8012-4133
4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-ethoxyphenol
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
8012-4133
Molecular Formula
C21H27NO4 (C21 H27 NO4)
Compound Name
4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2-ethoxyphenol
IUPAC name
4-(67-diethoxy-1234-tetrahydroisoquinolin-1-yl)-2-ethoxyphenol
SMILES
CCOc(cc(C(c1c2)NCCc1cc(OCC)c2OCC)cc1)c1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
357.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.210
Distribution Coefficient, logD
-1.162
Water Solubility, LogSw
-2.29
Polar Surface Area
50.337
Acid Dissociation Constant (pKa)
9.66
Base Dissociation Constant (pKb)
11.23
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.90
8012-4133 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Included in 1.7M Stock Database
- Cardiovascular
References: we are preparing a list of scientific research reports with 8012-4133 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)