Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9899172895
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 31 USD | 95 | 38 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-9899172895.sdf |
| SMILES | MCULE-9899172895.smiles |
| Standard InChI | MCULE-9899172895.inchi |
| InChIKey | MCULE-9899172895.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867654540 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875822373 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869320236 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436468710 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851728168 | AmBeed | On request | N/A | As is | by synthesis |
| P-889820437 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591074063 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-454629425 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449241345 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
| P-868631484 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-492272514 | Eximed | Building Block Catalog | 95 | As is | 3.82 g |
| P-864497560 | Eximed | In-stock screening compounds | 90 | As is | 210 mg |
| P-428593847 | Eximed | In-stock screening compounds | 90 | As is | 3.82 g |
| P-861955882 | FluoroChem | General BB | N/A | As is | in stock |
| P-502975772 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492246004 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488552945 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13806264 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454343700 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-892817627 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852448255 | Matrix Scientific | All | N/A | As is | in stock |
| P-854893585 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492279522 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 3.82 g |
| P-34030329 | Otava | In-House Stock Library | 90 | As is | 3.82 g |
| P-454373180 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23791503 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-856072425 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 3.82 g |
| P-520041474 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-855353163 | Toronto Research | In stock | 90 | As is | in stock |
| P-3165680 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 128 mg |
| P-893824999 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.252 |
| logP | 2.9558 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 78.43 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.4333 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
