Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1511678412
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 | 38 USD | 95 | 12 working days | Get Quote |
| 5 mg | 79 USD | 95 | 12 working days | Get Quote |
| 10 mg | 124 USD | 95 | 12 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.
-
MCULE-5779502729
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1511678412.sdf |
| SMILES | MCULE-1511678412.smiles |
| Standard InChI | MCULE-1511678412.inchi |
| InChIKey | MCULE-1511678412.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678729 | 98 | As is | in stock |
| P-875856315 | 98 | As is | in stock |
| P-595218138 | 98 | As is | by resynthesis (? - ? days) |
| P-596974407 | 98 | As is | 25 mg |
| P-901413956 | 95 | As is | in stock |
| P-869173042 | 95 | As is | unavailable |
| P-888664165 | 95 | As is | 203 mg |
| P-615418756 | 98 | As is | in stock |
| P-896041429 | 95 | As a main component | by synthesis |
| P-892301934 | 95 | As a main component | unavailable |
| P-869173043 | 95 | As a main component | 670 mg |
| P-888664166 | 95 | As a main component | 670 mg |
| P-1271518380 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1603.955 |
| logP | 6.2735 |
| H-bond acceptors | 39 |
| H-bond donors | 25 |
| Rotatable bonds | 69 |
| PSA | 661.7 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 431.0611 |
| Atoms | 240 |
| Rings | 3 |
| Heavy atoms | 114 |
| Hydrogen atoms | 126 |
| Heteroatoms | 39 |
| N/O atoms | 39 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 12 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 3 |
