Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1952839528
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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 7 USD | 98 | 16 working days | Get Quote |
| 10 mg | 7 USD | 98 | 16 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-1952839528.sdf |
| SMILES | MCULE-1952839528.smiles |
| Standard InChI | MCULE-1952839528.inchi |
| InChIKey | MCULE-1952839528.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867585851 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875744079 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869181358 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-588247014 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606925867 | AmBeed | In stock | N/A | As is | in stock |
| P-489156797 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596954156 | Angene | Building Blocks in stock | 98 | As is | 600 g |
| P-494337027 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889585550 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580697920 | BLD pharm | In-stock building blocks | 98 | As is | 2.225 kg |
| P-868644395 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580432168 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889117346 | FluoroChem | In Stock BB | N/A | As is | 50 g |
| P-488550827 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-454391393 | Key Organics | Building Blocks | 95 | As is | 343 mg |
| P-454296619 | Key Organics | Screening Compounds and Fragments | 95 | As is | 343 mg |
| P-856042003 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31250678 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613281950 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-860795032 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852510752 | Matrix Scientific | All | N/A | As is | in stock |
| P-863742401 | MedChemExpress | Natural Products on demand | 95 | As is | by synthesis |
| P-584616505 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878645102 | Molnova | Stock | 98 | As is | in stock |
| P-454372137 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-885528694 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19834721 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888638939 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869125340 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-502366839 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-464681778 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-35134715 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-480861767 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 148.201 |
| logP | 2.6694 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.2505 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
