Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5331233860-1
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 | 6 USD | 98 | 8 working days | Get Quote |
| 5 mg | 6 USD | 98 | 8 working days | Get Quote |
| 10 mg | 6 USD | 98 | 8 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-5331233860-1.sdf |
| SMILES | MCULE-5331233860-1.smiles |
| Standard InChI | MCULE-5331233860-1.inchi |
| InChIKey | MCULE-5331233860-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869190467 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353387 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606851954 | AmBeed | In stock | N/A | As is | in stock |
| P-494347771 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864122187 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580729301 | BLD pharm | In-stock building blocks | 98 | As is | 144 g |
| P-619931009 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-851281382 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868565670 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580416364 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-500177911 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
| P-454416865 | Key Organics | Building Blocks | 95 | As is | 1.11 g |
| P-454351550 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.11 g |
| P-613276607 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852496857 | Matrix Scientific | All | N/A | As is | in stock |
| P-863717156 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500384068 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
| P-611383314 | Toronto Research | In stock | 90 | As is | in stock |
| P-588839837 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-3243514 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | unavailable |
| P-886970447 | eNovation Chemicals LLC | Building Block on demand | 98 | As is | by synthesis |
| P-615433575 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 145.157 |
| logP | 1.9404 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 33.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.766 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
