Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2956010852
Compound
Show structure
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 | 49 USD | 97 | 20 working days | Get Quote |
| 5 mg | 49 USD | 97 | 20 working days | Get Quote |
| 10 mg | 49 USD | 97 | 20 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-2956010852.sdf |
| SMILES | MCULE-2956010852.smiles |
| Standard InChI | MCULE-2956010852.inchi |
| InChIKey | MCULE-2956010852.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875769091 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590398999 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-606849959 | AmBeed | In stock | N/A | As is | in stock |
| P-489140366 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-619155355 | Angene | Building Blocks in stock | 97 | As is | 8.3 g |
| P-494335434 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864085946 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-613860108 | BLD pharm | In-stock building blocks | 97 | As is | 350 mg |
| P-851243020 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861554864 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-861958289 | FluoroChem | General BB | N/A | As is | in stock |
| P-505529615 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454389702 | Key Organics | Building Blocks | 97 | As is | 6.036 g |
| P-18816461 | Key Organics | Screening Compounds and Fragments | 97 | As is | 6.036 g |
| P-852423990 | Matrix Scientific | All | N/A | As is | in stock |
| P-854728719 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-596739618 | Synthonix | In-stock Building Blocks | 95 | As is | 120 mg |
| P-502393142 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611402738 | Toronto Research | In stock | 90 | As is | in stock |
| P-480993722 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.146 |
| logP | 0.9824 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 41.3908 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| 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 |
