Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4915577789
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 | 27 USD | 98 | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 20 working days | Get Quote |
| 10 mg | 27 USD | 98 | 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-4915577789.sdf |
| SMILES | MCULE-4915577789.smiles |
| Standard InChI | MCULE-4915577789.inchi |
| InChIKey | MCULE-4915577789.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867633379 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875797792 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597025992 | AEchem | Building blocks | 95 | As is | in stock |
| P-869190478 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-590396412 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580242471 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-489183710 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596967017 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
| P-589660855 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864215452 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-606959075 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-868600792 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580391407 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-862046486 | FluoroChem | General BB | 95 | As is | in stock |
| P-454385666 | Key Organics | Building Blocks | 95 | As is | 95 g |
| P-608084266 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31277317 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-856042038 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-852496348 | Matrix Scientific | All | N/A | As is | in stock |
| P-854830541 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-621857924 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-620224301 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-12681263 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-871063265 | Synthonix | In-stock Building Blocks | 95 | As is | unavailable |
| P-502369392 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855357749 | Toronto Research | In stock | 90 | As is | in stock |
| P-588800861 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-886953080 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.232 |
| logP | 3.3635 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.2334 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 15 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
