Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1498649786-0
Structure
Show compound
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 | 30 USD | 98 | 20 working days | Get Quote |
| 5 mg | 30 USD | 98 | 20 working days | Get Quote |
| 10 mg | 30 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-1498649786-0.sdf |
| SMILES | MCULE-1498649786-0.smiles |
| Standard InChI | MCULE-1498649786-0.inchi |
| InChIKey | MCULE-1498649786-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556649 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875715554 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881663354 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-595207662 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-580259363 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-875895412 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-851946720 | AmBeed | In stock | N/A | As is | in stock |
| P-865906474 | Angene | Building Blocks in stock | 98 | As is | 5 g |
| P-579789329 | Apollo Scientific | In Stock | 95 | As is | 8 g |
| P-864134996 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-674401839 | BLD pharm | In-stock building blocks | 98 | As is | 350 mg |
| P-861491187 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580376196 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-862030182 | FluoroChem | General BB | 95 | As is | in stock |
| P-890212235 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579523434 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
| P-500151394 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
| P-454320204 | Key Organics | Screening Compounds and Fragments | 90 | As is | 118 mg |
| P-579665344 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-873389085 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852457616 | Matrix Scientific | All | N/A | As is | in stock |
| P-854731154 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-859989293 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611589221 | Toronto Research | In stock | 90 | As is | in stock |
| P-615460840 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.156 |
| logP | 0.8537 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.22 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
