Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1616553981-0
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 | 6 USD | 95 | 22 working days | Get Quote |
| 5 mg | 6 USD | 95 | 22 working days | Get Quote |
| 10 mg | 6 USD | 95 | 22 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-1616553981-0.sdf |
| SMILES | MCULE-1616553981-0.smiles |
| Standard InChI | MCULE-1616553981-0.inchi |
| InChIKey | MCULE-1616553981-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867535975 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-867620342 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-867297371 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-869237719 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-616216450 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869271085 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505389558 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606915543 | AmBeed | In stock | N/A | As is | in stock |
| P-596936164 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-580193158 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864150143 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868545788 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-901557456 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893253081 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-580452369 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-901406989 | FluoroChem | General BB | N/A | As is | in stock |
| P-500417443 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-505516048 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524163794 | Key Organics | Building Blocks | 98 | As is | 10 mg |
| P-500392399 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-889880614 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-589631411 | Selleck Biotechnology GmbH | Epigenetics | N/A | As is | in stock |
| P-579711467 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-892268626 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-869127076 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892347594 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-892291293 | TargetMol | In Stock BB | 95 | As is | 1.005 g |
| P-888640270 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.005 g |
| P-611451759 | Toronto Research | In stock | 90 | As is | in stock |
| P-611451763 | Toronto Research | In stock | 90 | As is | in stock |
| P-611451765 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.286 |
| logP | 2.30458 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 130.38 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.088 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
