Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2479095450
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 | 187 USD | 95 | 14 working days | Get Quote |
| 5 mg | 260 USD | 95 | 15 working days | Get Quote |
| 10 mg | 260 USD | 95 | 15 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-6394333874
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2479095450.sdf |
| SMILES | MCULE-2479095450.smiles |
| Standard InChI | MCULE-2479095450.inchi |
| InChIKey | MCULE-2479095450.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869206885 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-608495494 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-855914814 | Key Organics | Building Blocks | 97 | As is | 1 mg |
| P-888625141 | Key Organics | Building Blocks | 95 | As a main component | 1 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1603.955 |
| logP | 6.2735 |
| H-bond acceptors | 39 |
| H-bond donors | 25 |
| Rotatable bonds | 69 |
| PSA | 661.7 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 431.0611 |
| Atoms | 240 |
| Rings | 3 |
| Heavy atoms | 114 |
| Hydrogen atoms | 126 |
| Heteroatoms | 39 |
| N/O atoms | 39 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 12 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 3 |
