Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1615428751
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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 95 USD | 90 | 21 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-1615428751.sdf |
| SMILES | MCULE-1615428751.smiles |
| Standard InChI | MCULE-1615428751.inchi |
| InChIKey | MCULE-1615428751.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867427881 | 90 | As is | by synthesis |
| P-904543354 | 95 | As is | in stock |
| P-610891799 | 90 | As is | by synthesis |
| P-851762820 | N/A | As is | by synthesis |
| P-591105901 | 95 | As is | by synthesis |
| P-901475420 | 95 | As is | by synthesis |
| P-502531316 | 95 | As is | by synthesis |
| P-503086442 | 90 | As is | by synthesis |
| P-502613760 | 90 | As is | in stock |
| P-467944399 | 95 | As is | by synthesis |
| P-601071295 | 90 | As is | 143 mg |
| P-852506438 | N/A | As is | in stock |
| P-895333625 | 95 | As is | by synthesis |
| P-12364937 | 90 | As is | 75 mg |
| P-33457801 | 90 | As is | in stock |
| P-907199555 | 94 | As is | by resynthesis (? - ? days) |
| P-855253811 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 252.271 |
| logP | 2.9881 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 86.93 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.5693 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
