MCULE-9706594435
- 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 | 16 USD | 98 | 20 working days | Get Quote |
| 5 mg | 16 USD | 98 | 20 working days | Get Quote |
| 10 mg | 16 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-9706594435.sdf |
| SMILES | MCULE-9706594435.smiles |
| Standard InChI | MCULE-9706594435.inchi |
| InChIKey | MCULE-9706594435.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627449 | 98 | As is | in stock |
| P-875790721 | N/A | As is | in stock |
| P-869307979 | 95 | As is | in stock |
| P-903141546 | 98 | As is | 20 g |
| P-893528427 | 90 | As is | 55.263 g |
| P-606849373 | N/A | As is | in stock |
| P-489160917 | 97 | As is | in stock |
| P-596965777 | 98 | As is | 20 g |
| P-895946697 | 95 | As is | by resynthesis (? - ? days) |
| P-864171427 | 98 | As is | in stock |
| P-580698581 | 98 | As is | 6 g |
| P-4489437 | 90 | As is | 10 mg |
| P-577174794 | 90 | As is | by synthesis |
| P-851278983 | 95 | As is | by synthesis |
| P-861477874 | 98 | As is | by synthesis |
| P-580405076 | 95 | As is | by resynthesis (? - ? days) |
| P-862000936 | 95 | As is | 21.349 g |
| P-502492481 | 95 | As is | by synthesis |
| P-492245317 | 95 | As is | in stock |
| P-524182780 | 98 | As is | 5 g |
| P-608082229 | 98 | As is | 10 g |
| P-500222281 | 99 | As is | in stock |
| P-25839395 | 95 | As is | 206 mg |
| P-601075127 | 90 | As is | 206 mg |
| P-580509486 | N/A | As is | by synthesis |
| P-852507436 | N/A | As is | in stock |
| P-854744781 | 95 | As is | in stock |
| P-888875205 | N/A | As is | in stock |
| P-500382537 | 98 | As is | by synthesis |
| P-885546571 | 95 | As is | by synthesis |
| P-596738340 | 98 | As is | 7.7 g |
| P-873225039 | 90 | As is | in stock |
| P-906864152 | 97 | As is | by synthesis |
| P-611596997 | 90 | As is | in stock |
| P-893939196 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 205.642 |
| logP | 2.9604 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.8824 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

