Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9013186060
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 | 71 USD | 95 | 10 working days | Get Quote |
| 5 mg | 84 USD | N/A | 17 working days | Get Quote |
| 10 mg | 84 USD | N/A | 17 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-3322885817
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9013186060.sdf |
| SMILES | MCULE-9013186060.smiles |
| Standard InChI | MCULE-9013186060.inchi |
| InChIKey | MCULE-9013186060.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867593642 | 95 | As is | in stock |
| P-875752745 | N/A | As is | in stock |
| P-903085349 | 95 | As is | 1000 mg |
| P-851399954 | N/A | As is | by synthesis |
| P-579787412 | 95 | As is | by resynthesis (? - ? days) |
| P-864198847 | 95 | As is | in stock |
| P-590716665 | 95 | As is | by synthesis |
| P-580410948 | 95 | As is | by resynthesis (? - ? days) |
| P-18807518 | 95 | As is | 13.786 g |
| P-855952466 | 95 | As is | 1000 mg |
| P-454400632 | 95 | As is | 13.786 g |
| P-14061189 | 95 | As is | 2.385 g |
| P-601051429 | 90 | As is | 2.385 g |
| P-852424987 | N/A | As is | in stock |
| P-895293946 | 95 | As is | by synthesis |
| P-611560398 | 90 | As is | in stock |
| P-893638768 | 95 | As is | by synthesis |
| P-893153242 | N/A | As a main component | by synthesis |
| P-904557525 | 95 | As a main component | in stock |
| P-613853727 | 95 | As a main component | in stock |
| P-893484515 | 90 | As a main component | 2.39 g |
| P-851389984 | N/A | As a main component | by synthesis |
| P-489175326 | 97 | As a main component | in stock |
| P-590719824 | 95 | As a main component | by synthesis |
| P-524198336 | 95 | As a main component | 1000 mg |
| P-855952472 | 95 | As a main component | 1000 mg |
| P-895255435 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 128.216 |
| logP | 0.8614 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 24.06 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.0824 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
