Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4977977402
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 | 13 USD | N/A | 35 working days | Get Quote |
| 5 mg | 13 USD | N/A | 35 working days | Get Quote |
| 10 mg | 13 USD | N/A | 35 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.
-
MCULE-7881440475
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4977977402.sdf |
| SMILES | MCULE-4977977402.smiles |
| Standard InChI | MCULE-4977977402.inchi |
| InChIKey | MCULE-4977977402.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869185517 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588246097 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869363403 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-489164616 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-494328631 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889740731 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 500 g |
| P-868609442 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580288148 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-861976065 | FluoroChem | General BB | N/A | As is | in stock |
| P-502940434 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492217954 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454400552 | Key Organics | Building Blocks | 95 | As is | 925.39 g |
| P-454316316 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31226452 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856041338 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-613284190 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580472431 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852505481 | Matrix Scientific | All | N/A | As is | in stock |
| P-428011888 | Maybridge | Screening Collection | 95 | As is | 9.182 kg |
| P-620222725 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-12633694 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-502329741 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611529117 | Toronto Research | In stock | 90 | As is | in stock |
| P-611529376 | Toronto Research | In stock | 90 | As is | in stock |
| P-611388835 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 98.100 |
| logP | 0.7719 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 33.37 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 24.8358 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 6 |
| 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 |
