Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5940471072
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 | 31 USD | 95 | 19 working days | Get Quote |
| 5 mg | 54 USD | 95 | 7 working days | Get Quote |
| 10 mg | 94 USD | 95 | 7 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-5940471072.sdf |
| SMILES | MCULE-5940471072.smiles |
| Standard InChI | MCULE-5940471072.inchi |
| InChIKey | MCULE-5940471072.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538331 | 98 | As is | in stock |
| P-875693569 | N/A | As is | in stock |
| P-881672926 | 95 | As is | in stock |
| P-505399286 | 98 | As is | in stock |
| P-903015038 | 98 | As is | 200 mg |
| P-1264048865 | 95 | As is | in stock |
| P-851936785 | N/A | As is | in stock |
| P-596981552 | 98 | As is | 200 mg |
| P-864150123 | 95 | As is | in stock |
| P-901565675 | 95 | As is | by synthesis |
| P-851249253 | 95 | As is | by synthesis |
| P-860798288 | 98 | As is | in stock |
| P-861342515 | 95 | As is | by synthesis |
| P-579479037 | 95 | As is | in stock |
| P-868079490 | 95 | As is | in stock |
| P-504617752 | 90 | As is | by synthesis |
| P-596582242 | 97 | As is | 10 mg |
| P-579625614 | 98 | As is | unavailable |
| P-852523048 | N/A | As is | in stock |
| P-854714265 | 95 | As is | in stock |
| P-584624211 | 95 | As is | in stock |
| P-608270776 | 98 | As is | in stock |
| P-885535750 | 95 | As is | by synthesis |
| P-869121728 | 95 | As is | by synthesis |
| P-892289878 | 95 | As is | unavailable |
| P-888636323 | 95 | As is | 200 mg |
| P-893949206 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 369.457 |
| logP | 3.7122 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 8 |
| PSA | 64.55 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 108.1605 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 27 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
