K407-0154 Screening compound: methyl 4-({6,7-dimethoxy-2-[4-(piperidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of ChemDiv screening compound K407-0154
methyl 4-({6,7-dimethoxy-2-[4-(piperidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
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
K407-0154
Molecular Formula
C32H36N2O8S (C32 H36 N2 O8 S)
Compound Name
methyl 4-({6,7-dimethoxy-2-[4-(piperidine-1-sulfonyl)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
IUPAC name
methyl 4-({67-dimethoxy-2-[4-(piperidine-1-sulfonyl)benzoyl]-1234-tetrahydroisoquinolin-1-yl}methoxy)benzoate
SMILES
COC(c(cc1)ccc1OCC(c(cc1OC)c(CC2)cc1OC)N2C(c(cc1)ccc1S(N1CCCCC1)(=O)=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
608.71
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
4.361
Distribution Coefficient, logD
4.361
Water Solubility, LogSw
-4.24
Polar Surface Area
91.458
Acid Dissociation Constant (pKa)
22.43
Base Dissociation Constant (pKb)
-3.25
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
37.50
K407-0154 in Drug Discovery
Included in Screening Libraries
GPCR Targeted Library (31838 compounds)
MCL1 Targeted Library (12200 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with K407-0154 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)