Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7758960648
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 | 58 USD | 98 | 22 working days | Get Quote |
| 5 mg | 167 USD | 98 | 22 working days | Get Quote |
| 10 mg | 280 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-7758960648.sdf |
| SMILES | MCULE-7758960648.smiles |
| Standard InChI | MCULE-7758960648.inchi |
| InChIKey | MCULE-7758960648.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867680080 | 98 | As is | in stock |
| P-875859063 | 98 | As is | in stock |
| P-874632248 | N/A | As is | by resynthesis (? - ? days) |
| P-1264053037 | 98 | As is | in stock |
| P-893609963 | 90 | As is | 403 mg |
| P-1270324380 | 98 | As is | in stock |
| P-891645006 | N/A | As is | in stock |
| P-895106414 | 98 | As is | 50 mg |
| P-1273261152 | 95 | As is | by resynthesis (? - ? days) |
| P-1275490026 | 95 | As is | in stock |
| P-892412515 | 98 | As is | 5 mg |
| P-901426209 | 95 | As is | by synthesis |
| P-851315043 | 95 | As is | by synthesis |
| P-861286035 | 98 | As is | in stock |
| P-1263260062 | 95 | As is | by synthesis |
| P-608496609 | 95 | As is | in stock |
| P-868078491 | 95 | As is | in stock |
| P-873247807 | 97 | As is | 5 mg |
| P-854716411 | 95 | As is | in stock |
| P-871069536 | 95 | As is | in stock |
| P-878644305 | 98 | As is | in stock |
| P-904255708 | 95 | As is | unavailable |
| P-869174978 | 95 | As is | 44 mg |
| P-888664771 | 95 | As is | 44 mg |
| P-1271690618 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 442.576 |
| logP | 5.2598 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 93.97 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 119.1827 |
| Atoms | 61 |
| Rings | 7 |
| Heavy atoms | 31 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
