Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5609924069
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 | 47 USD | 95 | 7 working days | Get Quote |
| 5 mg | 76 USD | 98 | 16 working days | Get Quote |
| 10 mg | 124 USD | 98 | 16 working days | Get Quote |
- 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-5609924069.sdf |
| SMILES | MCULE-5609924069.smiles |
| Standard InChI | MCULE-5609924069.inchi |
| InChIKey | MCULE-5609924069.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867540880 | N/A | As is | in stock |
| P-875697413 | N/A | As is | in stock |
| P-869314934 | 95 | As is | by resynthesis (? - ? days) |
| P-505402047 | 95 | As is | by resynthesis (? - ? days) |
| P-872723158 | 98 | As is | in stock |
| P-1264047559 | 98 | As is | in stock |
| P-610963010 | 90 | As is | 11.761 g |
| P-596938057 | N/A | As is | 1.25 g |
| P-864125537 | 95 | As is | in stock |
| P-872868374 | 99 | As is | in stock |
| P-871222070 | N/A | As is | by resynthesis (? - ? days) |
| P-901549979 | 95 | As is | by synthesis |
| P-851257686 | 95 | As is | by synthesis |
| P-860798387 | 98 | As is | in stock |
| P-861492113 | 95 | As is | by synthesis |
| P-579478629 | 95 | As is | in stock |
| P-505549922 | 95 | As is | in stock |
| P-524167281 | 95 | As is | 10 mg |
| P-854720003 | 95 | As is | in stock |
| P-584616235 | 95 | As is | in stock |
| P-608270986 | 98 | As is | in stock |
| P-889878498 | 95 | As is | by synthesis |
| P-589631559 | 98 | As is | in stock |
| P-579712220 | 98 | As is | in stock |
| P-892297728 | 95 | As is | unavailable |
| P-888657823 | 95 | As is | unavailable |
| P-869162459 | 95 | As is | 62 mg |
| P-906797047 | 98 | As is | by synthesis |
| P-1279231353 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 432.521 |
| logP | 3.5684 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 85.8 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 124.8092 |
| Atoms | 60 |
| Rings | 6 |
| Heavy atoms | 32 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
