Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5151451982
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 | 33 USD | 98 | 16 working days | Get Quote |
| 5 mg | 50 USD | 98 | 16 working days | Get Quote |
| 10 mg | 91 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-5151451982.sdf |
| SMILES | MCULE-5151451982.smiles |
| Standard InChI | MCULE-5151451982.inchi |
| InChIKey | MCULE-5151451982.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553204 | N/A | As is | in stock |
| P-875711624 | N/A | As is | in stock |
| P-869254819 | 95 | As is | by resynthesis (? - ? days) |
| P-872725712 | 98 | As is | in stock |
| P-1264051633 | 99 | As is | in stock |
| P-893473129 | 90 | As is | 8.028 g |
| P-1270336524 | 98 | As is | in stock |
| P-489228933 | 97 | As is | in stock |
| P-489105291 | 97 | As is | in stock |
| P-619201070 | 97 | As is | 200 mg |
| P-1273475615 | 95 | As is | by resynthesis (? - ? days) |
| P-904961749 | 95 | As is | in stock |
| P-901539487 | 95 | As is | by synthesis |
| P-851283815 | 95 | As is | by synthesis |
| P-860799792 | 98 | As is | in stock |
| P-861369211 | 95 | As is | by synthesis |
| P-1273142715 | 98 | As is | 200 mg |
| P-505549915 | 95 | As is | in stock |
| P-1273109452 | 97 | As is | 100 mg |
| P-854715560 | 95 | As is | in stock |
| P-474024556 | 95 | As is | in stock |
| P-608273026 | 98 | As is | in stock |
| P-579712530 | 98 | As is | in stock |
| P-589631560 | 98 | As is | in stock |
| P-892297992 | 95 | As is | unavailable |
| P-869162539 | 95 | As is | 91 mg |
| P-888657900 | 95 | As is | 91 mg |
| P-906799014 | 98 | As is | by synthesis |
| P-611506070 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 574.757 |
| logP | 5.85798 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 67.54 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 185.4402 |
| Atoms | 85 |
| Rings | 6 |
| Heavy atoms | 43 |
| Hydrogen atoms | 42 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
