Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9901176932
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 | 4 USD | 95 | 10 working days | Get Quote |
| 5 mg | 4 USD | 95 | 10 working days | Get Quote |
| 10 mg | 4 USD | 95 | 10 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-9901176932.sdf |
| SMILES | MCULE-9901176932.smiles |
| Standard InChI | MCULE-9901176932.inchi |
| InChIKey | MCULE-9901176932.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867575863 | 98 | As is | in stock |
| P-875736092 | N/A | As is | in stock |
| P-535625392 | 95 | As is | in stock |
| P-505351762 | 98 | As is | in stock |
| P-869369045 | 99 | As is | in stock |
| P-903065732 | 98 | As is | 3 kg |
| P-905480129 | 98 | As is | 1000 g |
| P-580200198 | 95 | As is | 30 g |
| P-617066130 | N/A | As is | in stock |
| P-606935209 | N/A | As is | in stock |
| P-489184907 | 97 | As is | in stock |
| P-596930877 | 98 | As is | 25 kg |
| P-494348827 | 95 | As is | 364 g |
| P-864085486 | 97 | As is | in stock |
| P-481169078 | 95 | As is | 987.5 g |
| P-580732840 | 98 | As is | 3.18 kg |
| P-893222135 | 95 | As is | in stock |
| P-34858553 | 90 | As is | in stock |
| P-851280924 | 95 | As is | by synthesis |
| P-868560318 | 98 | As is | in stock |
| P-580420863 | 95 | As is | by resynthesis (? - ? days) |
| P-905330970 | 98 | As is | 1.06 kg |
| P-861942186 | 98 | As is | 1.06 kg |
| P-870646714 | 99 | As is | in stock |
| P-590344199 | 90 | As is | 19.9 g |
| P-505503255 | 95 | As is | in stock |
| P-502464164 | 95 | As is | by synthesis |
| P-454351653 | 97 | As is | 250 mg |
| P-454416958 | 97 | As is | 1000 g |
| P-856012964 | 90 | As is | unavailable |
| P-580514059 | 98 | As is | 898 g |
| P-852379954 | N/A | As is | in stock |
| P-870988062 | 90 | As is | 5.002 g |
| P-888861826 | N/A | As is | in stock |
| P-500370292 | 99 | As is | by synthesis |
| P-885516979 | 95 | As is | by synthesis |
| P-19647761 | 90 | As is | in stock |
| P-896079925 | N/A | As is | 467 mg |
| P-904080877 | 98 | As is | 3.28 kg |
| P-502349435 | 90 | As is | in stock |
| P-888447643 | 94 | As is | by resynthesis (? - ? days) |
| P-906772800 | 98 | As is | by synthesis |
| P-611496696 | 90 | As is | in stock |
| P-580448533 | 97 | As is | in stock |
| P-25519239 | 90 | As is | 1.03 g |
| P-854646725 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 151.162 |
| logP | 1.8566 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 42.7717 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
