Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9417454541
Compound
Show structures
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 | 112 USD | 95 | 7 working days | Get Quote |
| 5 mg | 288 USD | 98 | 16 working days | Get Quote |
| 10 mg | 424 USD | 98 | 16 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-9417454541.sdf |
| SMILES | MCULE-9417454541.smiles |
| Standard InChI | MCULE-9417454541.inchi |
| InChIKey | MCULE-9417454541.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892954129 | N/A | As is | by synthesis |
| P-867555609 | 95 | As is | in stock |
| P-875714468 | N/A | As is | in stock |
| P-869338400 | 98 | As is | in stock |
| P-903041947 | N/A | As is | 100 mg |
| P-893618796 | 90 | As is | 2.517 g |
| P-868817953 | N/A | As is | by synthesis |
| P-596991845 | 99 | As is | 50 mg |
| P-864158116 | 95 | As is | in stock |
| P-591055558 | 95 | As is | by synthesis |
| P-871218572 | N/A | As is | by resynthesis (? - ? days) |
| P-901459680 | 95 | As is | by synthesis |
| P-851239431 | 95 | As is | by synthesis |
| P-861347021 | 95 | As is | by synthesis |
| P-580338829 | 95 | As is | by resynthesis (? - ? days) |
| P-500154996 | 96 | As is | in stock |
| P-596582434 | 95 | As is | 100 mg |
| P-615648430 | 95 | As is | in stock |
| P-896627894 | 95 | As is | by synthesis |
| P-854715606 | 95 | As is | in stock |
| P-871070147 | 95 | As is | in stock |
| P-878644466 | 98 | As is | in stock |
| P-869175083 | 95 | As is | by synthesis |
| P-904255770 | 95 | As is | unavailable |
| P-888664856 | 95 | As is | 152 mg |
| P-611483387 | 90 | As is | in stock |
| P-893933948 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 354.402 |
| logP | 3.5956 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 105.51 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 100.0538 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
