MCULE-9813869372
- 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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 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.
-
MCULE-5531580562
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9813869372.sdf |
| SMILES | MCULE-9813869372.smiles |
| Standard InChI | MCULE-9813869372.inchi |
| InChIKey | MCULE-9813869372.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535329 | 98 | As is | in stock |
| P-875690417 | 98 | As is | in stock |
| P-1275190501 | 95 | As is | in stock |
| P-903010130 | 98 | As is | 1000 g |
| P-1270381226 | 98 | As is | in stock |
| P-606936962 | N/A | As is | in stock |
| P-489237916 | 97 | As is | in stock |
| P-865902142 | 98 | As is | 1000 g |
| P-895928997 | 95 | As is | by resynthesis (? - ? days) |
| P-864130623 | 95 | As is | in stock |
| P-3580675 | 90 | As is | 16 mg |
| P-851293113 | 95 | As is | by synthesis |
| P-868613207 | 90 | As is | in stock |
| P-580442803 | 95 | As is | by resynthesis (? - ? days) |
| P-862029092 | 98 | As is | 5 kg |
| P-505491225 | 95 | As is | in stock |
| P-500151612 | 96 | As is | in stock |
| P-563583978 | 95 | As is | 25 g |
| P-580500012 | 95 | As is | by synthesis |
| P-852466130 | N/A | As is | by synthesis |
| P-1272588283 | N/A | As is | in stock |
| P-885520394 | 95 | As is | by synthesis |
| P-19011243 | 90 | As is | in stock |
| P-906758275 | 98 | As is | by synthesis |
| P-611382686 | 90 | As is | in stock |
| P-464690681 | 90 | As is | 4 g |
| P-424744953 | 90 | As is | 4 g |
| P-1279167251 | 98 | As is | in stock |
| P-875733911 | 98 | As a main component | in stock |
| P-1275146608 | 95 | As a main component | in stock |
| P-1275168393 | 98 | As a main component | in stock |
| P-903063419 | 99 | As a main component | 2 kg |
| P-1270327290 | 98 | As a main component | in stock |
| P-851944913 | N/A | As a main component | in stock |
| P-865908551 | 98 | As a main component | 2 kg |
| P-895930625 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889480823 | 95 | As a main component | by synthesis |
| P-617324280 | 90 | As a main component | in stock |
| P-868626518 | 96 | As a main component | in stock |
| P-889281717 | 98 | As a main component | 4.76888 kg |
| P-870653291 | N/A | As a main component | in stock |
| P-855910093 | 98 | As a main component | 5 g |
| P-1279676673 | N/A | As a main component | in stock |
| P-1279084917 | N/A | As a main component | by synthesis |
| P-617679348 | 90 | As a main component | 81 mg |
| P-885545895 | 95 | As a main component | by synthesis |
| P-675086792 | 90 | As a main component | in stock |
| P-873228344 | 90 | As a main component | in stock |
| P-888594846 | 94 | As a main component | by resynthesis (? - ? days) |
| P-906776135 | 99 | As a main component | by synthesis |
| P-855091234 | 90 | As a main component | in stock |
| P-617761729 | 90 | As a main component | 243 mg |
| P-1279188538 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 382.188 |
| logP | 3.7154 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 122.91 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.7122 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |

