Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1591753422
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 | 9 USD | 95 | 20 working days | Get Quote |
| 5 mg | 9 USD | 95 | 20 working days | Get Quote |
| 10 mg | 9 USD | 95 | 20 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-1591753422.sdf |
| SMILES | MCULE-1591753422.smiles |
| Standard InChI | MCULE-1591753422.inchi |
| InChIKey | MCULE-1591753422.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538869 | 95 | As is | in stock |
| P-875694727 | N/A | As is | in stock |
| P-590380905 | 98 | As is | in stock |
| P-903016932 | 99 | As is | 25 g |
| P-1264049049 | 95 | As is | in stock |
| P-893575610 | 90 | As is | 25.259 g |
| P-580234789 | 95 | As is | by synthesis |
| P-606848597 | N/A | As is | in stock |
| P-489131325 | 97 | As is | in stock |
| P-25944588 | 70 | As is | 18 mg |
| P-596937471 | 95 | As is | 1000 mg |
| P-580196138 | 98 | As is | in stock |
| P-866720623 | 95 | As is | by resynthesis (? - ? days) |
| P-864144501 | 95 | As is | in stock |
| P-500413403 | 99 | As is | by synthesis |
| P-893237123 | 95 | As is | in stock |
| P-452649992 | 98 | As is | in stock |
| P-901650039 | 98 | As is | in stock |
| P-579477147 | 95 | As is | in stock |
| P-505628402 | 95 | As is | in stock |
| P-870652932 | 97 | As is | in stock |
| P-675211346 | 95 | As is | in stock |
| P-488555564 | 92 | As is | in stock |
| P-855924082 | 95 | As is | 1000 mg |
| P-856015536 | 90 | As is | 1000 mg |
| P-860795239 | N/A | As is | by synthesis |
| P-35174793 | 90 | As is | 1.103 kg |
| P-896630296 | 95 | As is | by synthesis |
| P-854692986 | 95 | As is | in stock |
| P-584625349 | 95 | As is | in stock |
| P-888169240 | 98 | As is | by synthesis |
| P-500390318 | 98 | As is | by synthesis |
| P-885533635 | 95 | As is | by synthesis |
| P-424894838 | 90 | As is | in stock |
| P-617401773 | N/A | As is | in stock |
| P-516407743 | 80 | As is | 15 mg |
| P-892235174 | 95 | As is | by synthesis |
| P-869176113 | 95 | As is | in stock |
| P-892292437 | 95 | As is | unavailable |
| P-892326218 | 95 | As is | 151 mg |
| P-25507275 | 90 | As is | 50 mg |
| P-575297625 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.194 |
| logP | 1.8102 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 48.67 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.468 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
