Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3915866279-0
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 | 15 USD | 98 | 20 working days | Get Quote |
| 5 mg | 15 USD | 98 | 20 working days | Get Quote |
| 10 mg | 15 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.
-
MCULE-9466394978-0
- Component type: Main
-
MCULE-6480442596-0
- Component type: Unknown
-
MCULE-6758278502-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3915866279-0.sdf |
| SMILES | MCULE-3915866279-0.smiles |
| Standard InChI | MCULE-3915866279-0.inchi |
| InChIKey | MCULE-3915866279-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867568480 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875728807 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869374831 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606916443 | AmBeed | In stock | N/A | As is | in stock |
| P-596982915 | Angene | Building Blocks in stock | 98 | As is | 162 g |
| P-864144633 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-611357122 | Toronto Research | In stock | 90 | As is | in stock |
| P-580444396 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
| P-500375999 | Pi Chemicals | Virtual Compounds | 97 | As a main component | by synthesis |
| P-500377226 | Pi Chemicals | Virtual Compounds | 98 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 161.199 |
| logP | -1.8065 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 60.36 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 39.1287 |
| Atoms | 26 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
