Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1422976695
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 | 15 USD | 95 | 22 working days | Get Quote |
| 5 mg | 28 USD | 95 | 22 working days | Get Quote |
| 10 mg | 48 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.
| Name | File |
|---|---|
| SDF | MCULE-1422976695.sdf |
| SMILES | MCULE-1422976695.smiles |
| Standard InChI | MCULE-1422976695.inchi |
| InChIKey | MCULE-1422976695.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892866663 | 95 | As is | in stock |
| P-867649096 | 95 | As is | in stock |
| P-869287986 | 95 | As is | in stock |
| P-893591955 | 90 | As is | 400 mg |
| P-610965967 | 90 | As is | 358.003 g |
| P-904995856 | N/A | As is | by synthesis |
| P-606852602 | N/A | As is | in stock |
| P-895102656 | 98 | As is | unavailable |
| P-596970642 | 98 | As is | 25 g |
| P-864145188 | 95 | As is | in stock |
| P-868545150 | 98 | As is | in stock |
| P-893219037 | 95 | As is | in stock |
| P-871212409 | 95 | As is | by synthesis |
| P-860800013 | 98 | As is | in stock |
| P-675215410 | 95 | As is | in stock |
| P-868078872 | 95 | As is | in stock |
| P-502589173 | 95 | As is | by synthesis |
| P-596563376 | 95 | As is | 1000 mg |
| P-888624474 | 95 | As is | 500 mg |
| P-888174749 | 98 | As is | by synthesis |
| P-889878073 | 95 | As is | by synthesis |
| P-617401895 | N/A | As is | in stock |
| P-904083811 | 98 | As is | 32 g |
| P-869161014 | 95 | As is | by synthesis |
| P-869163831 | 95 | As is | by synthesis |
| P-892299956 | 95 | As is | unavailable |
| P-892295021 | 95 | As is | 392 mg |
| P-888659130 | 95 | As is | 100 mg |
| P-888656246 | 95 | As is | 392 mg |
| P-611425742 | 90 | As is | in stock |
| P-854640861 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 384.490 |
| logP | 5.1634 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 88.9 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.6243 |
| Atoms | 51 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 24 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
