E632-0286 Screening compound: ethyl 3-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of ChemDiv screening compound E632-0286
ethyl 3-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)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
E632-0286
Molecular Formula
C25H31N3O3 (C25 H31 N3 O3)
Compound Name
ethyl 3-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate
IUPAC name
ethyl 3-({4-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate
SMILES
CCOC(c1cccc(NC(N2CCC(CN(CC3)Cc4c3cccc4)CC2)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
421.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.832
Distribution Coefficient, logD
3.222
Water Solubility, LogSw
-4.51
Polar Surface Area
49.856
Acid Dissociation Constant (pKa)
13.45
Base Dissociation Constant (pKb)
9.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
44.00
E632-0286 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Diversity Natural-Product-Like Library (18102 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Annotated Library (21441 compounds)
KRAS-Targeted Library (16000 compounds)
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- 3D
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Cancer
- Endocrine
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- GPCR
- Ion Channels
- Phosphatases
- PPI modulators
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with E632-0286 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)