Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9939405154
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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.
| Name | File |
|---|---|
| SDF | MCULE-9939405154.sdf |
| SMILES | MCULE-9939405154.smiles |
| Standard InChI | MCULE-9939405154.inchi |
| InChIKey | MCULE-9939405154.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867544655 | 95 | As is | in stock |
| P-875702478 | N/A | As is | in stock |
| P-590363342 | 99 | As is | in stock |
| P-851497935 | N/A | As is | by synthesis |
| P-589657058 | 95 | As is | by resynthesis (? - ? days) |
| P-596516822 | 90 | As is | 1000 mg |
| P-596441945 | 90 | As is | 1000 mg |
| P-896046777 | 95 | As is | by synthesis |
| P-590775467 | 95 | As is | by synthesis |
| P-492250647 | 95 | As is | in stock |
| P-454715716 | 90 | As is | in stock |
| P-436454045 | 95 | As is | 5 g |
| P-517166903 | 90 | As is | in stock |
| P-861450280 | 95 | As is | by synthesis |
| P-580759498 | 90 | As is | by synthesis |
| P-855972252 | 95 | As is | 5 g |
| P-852402169 | N/A | As is | in stock |
| P-854914042 | 95 | As is | by synthesis |
| P-579266991 | 90 | As is | in stock |
| P-502358845 | 90 | As is | in stock |
| P-23145206 | 94 | As is | by resynthesis (? - ? days) |
| P-611436159 | 90 | As is | in stock |
| P-424719217 | 90 | As is | 330 mg |
| P-893669217 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.211 |
| logP | 2.5972 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.86 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.6182 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
