MCULE-9101515986
- 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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 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-9101515986.sdf |
| SMILES | MCULE-9101515986.smiles |
| Standard InChI | MCULE-9101515986.inchi |
| InChIKey | MCULE-9101515986.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875743636 | N/A | As is | in stock |
| P-505388583 | 98 | As is | in stock |
| P-535624567 | 98 | As is | in stock |
| P-903074350 | 98 | As is | 3 g |
| P-851450781 | N/A | As is | by synthesis |
| P-596988792 | 98 | As is | 25 g |
| P-864196288 | 95 | As is | in stock |
| P-590804491 | 95 | As is | by synthesis |
| P-454710885 | 90 | As is | in stock |
| P-3301741 | 90 | As is | 2.624 g |
| P-436459262 | 95 | As is | 99 g |
| P-425206518 | 90 | As is | in stock |
| P-19868820 | 90 | As is | in stock |
| P-868598453 | 95 | As is | in stock |
| P-580418309 | 95 | As is | by resynthesis (? - ? days) |
| P-488555746 | 92 | As is | in stock |
| P-856005818 | 95 | As is | 100 mg |
| P-524164219 | 95 | As is | 100 g |
| P-856023876 | 90 | As is | 2 g |
| P-580472010 | N/A | As is | by synthesis |
| P-852431142 | N/A | As is | in stock |
| P-871068893 | 95 | As is | in stock |
| P-885522903 | 95 | As is | by synthesis |
| P-424803424 | 90 | As is | in stock |
| P-873212705 | 90 | As is | in stock |
| P-22474185 | 90 | As is | 110 mg |
| P-906876917 | 98 | As is | by synthesis |
| P-611370309 | 90 | As is | in stock |
| P-488720 | 90 | As is | 3.231 g |
| P-3219350 | 90 | As is | 3.231 g |
| P-615404737 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.160 |
| logP | 4.5558 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.073 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

