Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4078584340
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 | 29 USD | 95 | 7 working days | Get Quote |
| 5 mg | 47 USD | 98 | 16 working days | Get Quote |
| 10 mg | 79 USD | 98 | 16 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-4078584340.sdf |
| SMILES | MCULE-4078584340.smiles |
| Standard InChI | MCULE-4078584340.inchi |
| InChIKey | MCULE-4078584340.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867571065 | N/A | As is | in stock |
| P-875730857 | 98 | As is | in stock |
| P-505394197 | 95 | As is | by resynthesis (? - ? days) |
| P-580192745 | 98 | As is | in stock |
| P-903060070 | 99 | As is | 150 mg |
| P-1264054698 | 99 | As is | in stock |
| P-893607553 | 90 | As is | 1.709 g |
| P-1270328473 | 99 | As is | in stock |
| P-489242930 | 97 | As is | in stock |
| P-619146164 | 99 | As is | 50 mg |
| P-1273454665 | 95 | As is | by resynthesis (? - ? days) |
| P-864158494 | 95 | As is | in stock |
| P-901451988 | 95 | As is | by synthesis |
| P-851338855 | 95 | As is | by synthesis |
| P-860798142 | 98 | As is | in stock |
| P-861380674 | 95 | As is | by synthesis |
| P-579479673 | 95 | As is | in stock |
| P-901409788 | 99 | As is | 150 mg |
| P-868078519 | 95 | As is | in stock |
| P-854711800 | 95 | As is | in stock |
| P-584615155 | 95 | As is | in stock |
| P-878640940 | 98 | As is | in stock |
| P-617403951 | 98 | As is | in stock |
| P-892294640 | 95 | As is | unavailable |
| P-869160498 | 95 | As is | 169 mg |
| P-888655772 | 95 | As is | 169 mg |
| P-855050119 | 90 | As is | in stock |
| P-855055190 | 90 | As is | in stock |
| P-666985442 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 529.557 |
| logP | 5.2057 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 94.65 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 146.8931 |
| Atoms | 68 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 30 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
