Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2959607047
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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 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-2959607047.sdf |
| SMILES | MCULE-2959607047.smiles |
| Standard InChI | MCULE-2959607047.inchi |
| InChIKey | MCULE-2959607047.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867536903 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875692297 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869186571 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-505388846 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606888113 | AmBeed | In stock | N/A | As is | in stock |
| P-851150724 | Angene | Building Blocks in stock | 98 | As is | 56.1506 kg |
| P-864112195 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-861274469 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-580426732 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-488543817 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-854589051 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-454363738 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500405809 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-869178048 | TargetMol | Natural Products | 95 | As is | 42.313 g |
| P-502328498 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-464690103 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.001 g |
| P-2376638 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.001 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.241 |
| logP | -2.7566 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 2 |
| PSA | 160.24 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 64.1765 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
