Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1090485871
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 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-1090485871.sdf |
| SMILES | MCULE-1090485871.smiles |
| Standard InChI | MCULE-1090485871.inchi |
| InChIKey | MCULE-1090485871.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875812714 | N/A | As is | in stock |
| P-590374950 | 95 | As is | in stock |
| P-903173512 | 97 | As is | 15 g |
| P-893551169 | 90 | As is | 214.739 g |
| P-580215557 | 95 | As is | by synthesis |
| P-851936059 | N/A | As is | in stock |
| P-865923557 | 98 | As is | 20 g |
| P-895923448 | 95 | As is | by resynthesis (? - ? days) |
| P-864206319 | 95 | As is | in stock |
| P-454705626 | 90 | As is | in stock |
| P-436456683 | 95 | As is | 10 g |
| P-517167806 | 90 | As is | in stock |
| P-868634546 | 97 | As is | in stock |
| P-580763155 | 90 | As is | in stock |
| P-596589592 | 90 | As is | 5 g |
| P-852429341 | N/A | As is | in stock |
| P-855398145 | 95 | As is | in stock |
| P-888891781 | N/A | As is | in stock |
| P-885524918 | 95 | As is | by synthesis |
| P-579335197 | 90 | As is | in stock |
| P-873220996 | 90 | As is | in stock |
| P-888577783 | 94 | As is | by resynthesis (? - ? days) |
| P-611606174 | 90 | As is | in stock |
| P-25694294 | 90 | As is | 609 mg |
| P-3231840 | 90 | As is | 609 mg |
| P-872755293 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.077 |
| logP | 1.5495 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 70.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.2967 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
