Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1323845397
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 | 14 working days | Get Quote |
| 5 mg | 7 USD | N/A | 10 working days | Get Quote |
| 10 mg | 7 USD | N/A | 10 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-3812097796
- Component type: Main
-
MCULE-3055959120
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1323845397.sdf |
| SMILES | MCULE-1323845397.smiles |
| Standard InChI | MCULE-1323845397.inchi |
| InChIKey | MCULE-1323845397.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867571640 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875732563 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-606935427 | AmBeed | In stock | N/A | As is | in stock |
| P-596930641 | Angene | Building Blocks in stock | 99 | As is | 759.05 g |
| P-864093347 | AstaTech | In Stock BBs | 99 | As is | in stock |
| P-500143735 | Chemtos | In-stock Products | 95 | As is | in stock |
| P-580414261 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-881187891 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500400295 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888633495 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869118432 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873225057 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-875822360 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
| P-869195530 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505395628 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-606899170 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596971153 | Angene | Building Blocks in stock | 98 | As a main component | 10.743 g |
| P-864108670 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-860797871 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
| P-580452061 | CliniSciences S.A.S | All products | 99 | As a main component | in stock |
| P-505511378 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-881193939 | Otava | In-House Stock Library | 90 | As a main component | 1000 mg |
| P-500399218 | Pi Chemicals | Virtual Compounds | 99 | As a main component | by synthesis |
| P-888633505 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869118442 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-666964861 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.330 |
| logP | 2.5543 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 79.18 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.1731 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
