Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9967717204
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 | 8 USD | N/A | 22 working days | Get Quote |
| 5 mg | 8 USD | N/A | 22 working days | Get Quote |
| 10 mg | 8 USD | N/A | 22 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-9967717204.sdf |
| SMILES | MCULE-9967717204.smiles |
| Standard InChI | MCULE-9967717204.inchi |
| InChIKey | MCULE-9967717204.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581189 | N/A | As is | in stock |
| P-875740219 | N/A | As is | in stock |
| P-903070536 | 97 | As is | 100 g |
| P-893588285 | 90 | As is | 1.08356 kg |
| P-851946188 | N/A | As is | in stock |
| P-489179576 | 97 | As is | in stock |
| P-596983720 | 98 | As is | 300 g |
| P-552048441 | 95 | As is | by resynthesis (? - ? days) |
| P-864196136 | 95 | As is | in stock |
| P-893218758 | 95 | As is | in stock |
| P-868642047 | 90 | As is | in stock |
| P-580442663 | 95 | As is | by resynthesis (? - ? days) |
| P-862056979 | 95 | As is | in stock |
| P-905350046 | 95 | As is | 5 g |
| P-505503593 | 95 | As is | in stock |
| P-454294928 | 95 | As is | 223 mg |
| P-454390657 | 95 | As is | 25 g |
| P-856042445 | 90 | As is | unavailable |
| P-31178738 | 90 | As is | unavailable |
| P-580504896 | N/A | As is | by synthesis |
| P-867943787 | 95 | As is | in stock |
| P-500398117 | 97 | As is | by synthesis |
| P-885542592 | 95 | As is | by synthesis |
| P-502329282 | 90 | As is | in stock |
| P-906758031 | 95 | As is | by synthesis |
| P-855051054 | 90 | As is | in stock |
| P-855055549 | 90 | As is | in stock |
| P-480937481 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 167.230 |
| logP | 2.0067 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.9 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.0067 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| 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 |
