Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8288178673-0
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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 90 | 22 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-8288178673-0.sdf |
| SMILES | MCULE-8288178673-0.smiles |
| Standard InChI | MCULE-8288178673-0.inchi |
| InChIKey | MCULE-8288178673-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867405442 | 95 | As is | by synthesis |
| P-889950494 | N/A | As is | by synthesis |
| P-894613423 | 95 | As is | in stock |
| P-903216084 | 95 | As is | 1000 mg |
| P-851789542 | N/A | As is | by synthesis |
| P-590966332 | 95 | As is | by synthesis |
| P-901448598 | 95 | As is | by synthesis |
| P-504707803 | 85 | As is | 5 mg |
| P-454756208 | 90 | As is | in stock |
| P-454679668 | 90 | As is | in stock |
| P-15143279 | 90 | As is | 23 mg |
| P-436441306 | 90 | As is | unavailable |
| P-298859 | 90 | As is | 1.057 g |
| P-34802275 | 90 | As is | by synthesis |
| P-580775959 | 90 | As is | by resynthesis (? - ? days) |
| P-580765387 | 90 | As is | in stock |
| P-854860037 | 95 | As is | by synthesis |
| P-491128572 | 95 | As is | by synthesis |
| P-23881443 | 90 | As is | in stock |
| P-12808404 | 90 | As is | 73 mg |
| P-22553049 | 90 | As is | in stock |
| P-502336155 | 90 | As is | in stock |
| P-596704750 | 90 | As is | 1 mg |
| P-1231205 | 90 | As is | 1.069 g |
| P-596526195 | 90 | As is | 1.069 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 270.322 |
| logP | 3.7035 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.2325 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
