Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2171995209
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 | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 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-2171995209.sdf |
| SMILES | MCULE-2171995209.smiles |
| Standard InChI | MCULE-2171995209.inchi |
| InChIKey | MCULE-2171995209.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867553336 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875711854 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869185638 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505400463 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610972354 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.23076 kg |
| P-34883685 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436469202 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606838034 | AmBeed | In stock | N/A | As is | in stock |
| P-489137822 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596942419 | Angene | Building Blocks in stock | 97 | As is | 1000 g |
| P-494353336 | Apollo Scientific | In Stock | 95 | As is | 175 g |
| P-596453381 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596517530 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-864126822 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-577133273 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851240703 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868610503 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580405130 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-575331343 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
| P-861933919 | FluoroChem | General BB | 95 | As is | in stock |
| P-890212102 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579523295 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 5 g |
| P-505518990 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502694741 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492217595 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488546805 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13474395 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-524169505 | Key Organics | Building Blocks | 98 | As is | 100 mg |
| P-855993606 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-615640772 | LabNetwork | In stock | 95 | As is | in stock |
| P-579614915 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-613284424 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580489884 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852402601 | Matrix Scientific | All | N/A | As is | in stock |
| P-854731613 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-13083490 | Otava | In-House Stock Library | 90 | As is | 350 mg |
| P-617707976 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 350 mg |
| P-454366476 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-14035827 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500392313 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19149287 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885515522 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-498679110 | Synthonix | In-stock Building Blocks | 95 | As is | 1.474 kg |
| P-502340543 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888433282 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-888431546 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611482121 | Toronto Research | In stock | 90 | As is | in stock |
| P-3220579 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.855 g |
| P-1911493 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.855 g |
| P-615403370 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 259.096 |
| logP | 2.2814 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 57.4905 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| 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 |
