Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5307502173
Compound
Show structures
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 | N/A | 9 working days | Get Quote |
| 5 mg | 11 USD | N/A | 20 working days | Get Quote |
| 10 mg | 11 USD | N/A | 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.
-
MCULE-4152259267
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5307502173.sdf |
| SMILES | MCULE-5307502173.smiles |
| Standard InChI | MCULE-5307502173.inchi |
| InChIKey | MCULE-5307502173.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505389557 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353427 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-619199786 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-896027859 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893218356 | Biosynth | In Stock | 95 | As is | in stock |
| P-505495269 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-638140899 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-500411478 | Pi Chemicals | Virtual Compounds | N/A | As is | by synthesis |
| P-869163184 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892298929 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888658574 | TargetMol | Screening Compounds - stock amount | 95 | As is | 99 mg |
| P-855050504 | Toronto Research | In stock | 90 | As is | in stock |
| P-869184413 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505389080 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505389655 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-606838173 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596972986 | Angene | Building Blocks in stock | N/A | As a main component | 125 g |
| P-580195945 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864085770 | AstaTech | In Stock BBs | 99 | As a main component | in stock |
| P-881038217 | AstaTech | In Stock BBs | 99 | As a main component | in stock |
| P-901418276 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
| P-893218315 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-524442703 | Key Organics | Biochemicals | 97 | As a main component | 484 mg |
| P-622447266 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
| P-869108167 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892286847 | TargetMol | In Stock BB | 95 | As a main component | 894 mg |
| P-888627203 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 894 mg |
| P-855294066 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-666970114 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 455.470 |
| logP | 0.2875 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 227.05 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 109.8969 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
