Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3123237237-1
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3123237237-1.sdf |
| SMILES | MCULE-3123237237-1.smiles |
| Standard InChI | MCULE-3123237237-1.inchi |
| InChIKey | MCULE-3123237237-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860636517 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-851530214 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-590893155 | BLD pharm | Non-stock building blocks | 95 | As an isomer | by synthesis |
| P-861514298 | Combi-Blocks | Building Block on demand | 90 | As an isomer | by synthesis |
| P-580409845 | Debye Scientific | General Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
| P-881679516 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As an isomer | by resynthesis (? - ? days) |
| P-890205813 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As an isomer | in stock |
| P-579487672 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As an isomer | 1.33 g |
| P-454360204 | Key Organics | Screening Compounds and Fragments | 90 | As an isomer | 100 mg |
| P-874467074 | Life Chemicals | Building Blocks - virtual | 95 | As an isomer | by synthesis |
| P-895606584 | MedChemExpress | Building Blocks on demand | 95 | As an isomer | by synthesis |
| P-424893460 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-611471484 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-25490267 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 980 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.220 |
| logP | 1.8119 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 53.11 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.2161 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
