MCULE-4233228077
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-6778479529
- Component type: Main
-
MCULE-9140155248
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4233228077.sdf |
SMILES | MCULE-4233228077.smiles |
Standard InChI | MCULE-4233228077.inchi |
InChIKey | MCULE-4233228077.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867296525 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851450840 | AmBeed | On request | N/A | As is | by synthesis |
P-489107330 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-580759859 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-608498064 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-870652844 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
P-596562644 | Key Organics | Building Blocks | 97 | As is | 94 mg |
P-888169043 | Molnova | On demand | 98 | As is | by synthesis |
P-885536348 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-893184524 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-875772674 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-617326147 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-584605045 | Alinda | Building Blocks | 95 | As a main component | 5 g |
P-596962950 | Angene | Building Blocks in stock | 99 | As a main component | 250 mg |
P-617648481 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-870652845 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
P-505497130 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-890851944 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-596564871 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
P-454413036 | Key Organics | Building Blocks | 95 | As a main component | 5 g |
P-895290691 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-474026002 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-888169042 | Molnova | On demand | 98 | As a main component | by synthesis |
P-881189314 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
P-13793333 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
P-885536347 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-888603416 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 211.330 |
logP | 2.5543 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 79.18 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 61.1731 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 17 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |