Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6973870001
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 | 46 USD | 98 | 14 working days | Get Quote |
| 5 mg | 46 USD | 98 | 14 working days | Get Quote |
| 10 mg | 78 USD | 98 | 14 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.
-
MCULE-5945024207
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6973870001.sdf |
| SMILES | MCULE-6973870001.smiles |
| Standard InChI | MCULE-6973870001.inchi |
| InChIKey | MCULE-6973870001.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904326408 | 90 | As is | 9.051 g |
| P-489174989 | 97 | As is | in stock |
| P-895955855 | 95 | As is | 10 g |
| P-616203645 | 98 | As is | 525 mg |
| P-1263294755 | 95 | As is | in stock |
| P-1263154281 | 95 | As is | by synthesis |
| P-895182981 | 95 | As is | in stock |
| P-878645419 | 98 | As is | in stock |
| P-903090974 | 98 | As a main component | 3 g |
| P-610959938 | 90 | As a main component | 11.237 g |
| P-860056338 | 98 | As a main component | by synthesis |
| P-590603281 | 98 | As a main component | 1.163 g |
| P-871222187 | N/A | As a main component | by resynthesis (? - ? days) |
| P-861378557 | 98 | As a main component | by synthesis |
| P-579480858 | 95 | As a main component | in stock |
| P-500245022 | N/A | As a main component | in stock |
| P-1263154282 | 95 | As a main component | by synthesis |
| P-854714579 | 95 | As a main component | in stock |
| P-872677020 | 95 | As a main component | in stock |
| P-906799888 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 219.278 |
| logP | -1.5164 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 84.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 59.5282 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 21 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
