Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5745155246-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5745155246-0.sdf |
| SMILES | MCULE-5745155246-0.smiles |
| Standard InChI | MCULE-5745155246-0.inchi |
| InChIKey | MCULE-5745155246-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867556858 | 97 | As is | in stock |
| P-875716704 | N/A | As is | in stock |
| P-535627613 | 95 | As is | in stock |
| P-505347992 | 97 | As is | in stock |
| P-903044397 | 98 | As is | 14.5 kg |
| P-851932195 | N/A | As is | in stock |
| P-489128192 | 97 | As is | in stock |
| P-596975225 | 98 | As is | 14.5 kg |
| P-864139124 | 97 | As is | in stock |
| P-454676630 | 90 | As is | in stock |
| P-436474257 | 95 | As is | 130 g |
| P-868576731 | 96 | As is | in stock |
| P-580272585 | 95 | As is | by resynthesis (? - ? days) |
| P-901377808 | 98 | As is | 34 g |
| P-870657844 | N/A | As is | in stock |
| P-590341309 | 90 | As is | 30 g |
| P-890218870 | 90 | As is | 30 g |
| P-492214956 | 95 | As is | in stock |
| P-31195926 | 90 | As is | unavailable |
| P-856040264 | 90 | As is | unavailable |
| P-613276579 | 95 | As is | by synthesis |
| P-588255005 | N/A | As is | by synthesis |
| P-852530279 | N/A | As is | in stock |
| P-854755595 | 95 | As is | in stock |
| P-620220548 | 95 | As is | 1000 mg |
| P-12468034 | 90 | As is | 1000 mg |
| P-885517193 | 95 | As is | by synthesis |
| P-424839299 | 90 | As is | in stock |
| P-22636998 | 90 | As is | in stock |
| P-502350944 | 90 | As is | in stock |
| P-903644587 | 94 | As is | by resynthesis (? - ? days) |
| P-855019180 | 90 | As is | in stock |
| P-2989974 | 90 | As is | 994 mg |
| P-3221427 | 90 | As is | 994 mg |
| P-575330484 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.617 |
| logP | 1.0936 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.848 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
