MCULE-3373135737
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 70 USD | 90 | 21 working days | Get Quote |
10 mg | 84 USD | 90 | 21 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.
-
MCULE-6998428182
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3373135737.sdf |
SMILES | MCULE-3373135737.smiles |
Standard InChI | MCULE-3373135737.inchi |
InChIKey | MCULE-3373135737.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893086829 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-502530553 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-851588736 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590913216 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-563690076 | Key Organics | Building Blocks | 95 | As a main component | 50 mg |
P-467903786 | Life Chemicals | Building Blocks - virtual | 95 | As a main component | by synthesis |
P-895462811 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-492274459 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 1.176 g |
P-26367845 | Otava | In-House Stock Library | 90 | As a main component | 1.176 g |
P-855251614 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 218.251 |
logP | 1.7382 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 68.11 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 63.5411 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
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 |