Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7545047614-0
Structure
Show compound
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-7545047614-0.sdf |
| SMILES | MCULE-7545047614-0.smiles |
| Standard InChI | MCULE-7545047614-0.inchi |
| InChIKey | MCULE-7545047614-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559184 | 97 | As is | in stock |
| P-875719240 | 98 | As is | in stock |
| P-1275185539 | 98 | As is | in stock |
| P-903048031 | 98 | As is | 2.6 kg |
| P-606902551 | N/A | As is | in stock |
| P-489123951 | 97 | As is | in stock |
| P-596944642 | 98 | As is | 4.1 kg |
| P-895923225 | 95 | As is | by resynthesis (? - ? days) |
| P-864155684 | 95 | As is | in stock |
| P-868591104 | 98 | As is | in stock |
| P-580274620 | 95 | As is | by resynthesis (? - ? days) |
| P-901375273 | 97 | As is | 49 g |
| P-905346997 | 97 | As is | 200 g |
| P-862032754 | 97 | As is | 21.9326 kg |
| P-488555159 | 90 | As is | in stock |
| P-427888323 | 92 | As is | 300 mg |
| P-856040482 | 90 | As is | unavailable |
| P-31249628 | 90 | As is | unavailable |
| P-904639550 | 95 | As is | in stock |
| P-454375771 | 92 | As is | in stock |
| P-885531613 | 95 | As is | by synthesis |
| P-579448292 | 90 | As is | in stock |
| P-869125517 | 95 | As is | unavailable |
| P-888639088 | 95 | As is | unavailable |
| P-502366804 | 90 | As is | in stock |
| P-906769786 | 97 | As is | by synthesis |
| P-854999441 | 90 | As is | in stock |
| P-424781500 | 90 | As is | 1.104 g |
| P-1271635397 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.364 |
| logP | 4.2054 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 52.04 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.2128 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 28 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
