Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2110837373
Compound
Show structure
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 | 61 USD | 95 | 20 working days | Get Quote |
| 5 mg | 61 USD | 95 | 20 working days | Get Quote |
| 10 mg | 61 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2110837373.sdf |
| SMILES | MCULE-2110837373.smiles |
| Standard InChI | MCULE-2110837373.inchi |
| InChIKey | MCULE-2110837373.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867586922 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875745899 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590370453 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851717139 | AmBeed | On request | N/A | As is | by synthesis |
| P-865910500 | Angene | Building Blocks in stock | 95 | As is | 15 g |
| P-864266573 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580303316 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-500400130 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-500399620 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-611354191 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.171 |
| logP | -1.0135 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 112.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 39.5987 |
| Atoms | 24 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
