MCULE-3337656767-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 65 USD | 97 | 10 working days | Get Quote |
5 mg | 81 USD | 97 | 10 working days | Get Quote |
10 mg | 111 USD | 97 | 10 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-3337656767-0.sdf |
SMILES | MCULE-3337656767-0.smiles |
Standard InChI | MCULE-3337656767-0.inchi |
InChIKey | MCULE-3337656767-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852103706 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-890160216 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615719959 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851821937 | AmBeed | On request | N/A | As is | by synthesis |
P-591096685 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-502509020 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454393622 | Key Organics | Building Blocks | 97 | As is | 144.503 g |
P-18812141 | Key Organics | Screening Compounds and Fragments | 97 | As is | 144.503 g |
P-852415848 | Matrix Scientific | All | N/A | As is | in stock |
P-864055238 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12980929 | Specs | Screening Compounds | 90 | As is | 36 mg |
P-502398579 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611594151 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 201.245 |
logP | 1.4289 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 74.78 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 48.3065 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |