Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1331157513
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 working days | Get Quote |
- 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-1331157513.sdf |
| SMILES | MCULE-1331157513.smiles |
| Standard InChI | MCULE-1331157513.inchi |
| InChIKey | MCULE-1331157513.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538118 | 97 | As is | in stock |
| P-875693717 | 98 | As is | in stock |
| P-890259611 | 97 | As is | by synthesis |
| P-1275183285 | 95 | As is | in stock |
| P-1275199967 | 98 | As is | in stock |
| P-903015204 | 97 | As is | 981 g |
| P-610957410 | 90 | As is | 14.9188 kg |
| P-1270305558 | 97 | As is | in stock |
| P-580255058 | 95 | As is | by synthesis |
| P-875895299 | 95 | As is | in stock |
| P-606881001 | N/A | As is | in stock |
| P-489230792 | 97 | As is | in stock |
| P-596937040 | 98 | As is | 10 kg |
| P-494337271 | 95 | As is | by resynthesis (? - ? days) |
| P-864097720 | 95 | As is | in stock |
| P-481173774 | 95 | As is | 19 g |
| P-590614043 | 97 | As is | 67 g |
| P-494301654 | 95 | As is | in stock |
| P-901565650 | 95 | As is | by synthesis |
| P-505604349 | 95 | As is | by synthesis |
| P-851246781 | 95 | As is | by synthesis |
| P-861283417 | 95 | As is | in stock |
| P-868560553 | 97 | As is | in stock |
| P-580294977 | 95 | As is | by resynthesis (? - ? days) |
| P-861968182 | 98 | As is | 2.58284 kg |
| P-901368977 | 98 | As is | 51.44 g |
| P-905333469 | 98 | As is | 175 g |
| P-454303367 | 90 | As is | unavailable |
| P-608082742 | 95 | As is | in stock |
| P-892818939 | 95 | As is | by synthesis |
| P-873388753 | N/A | As is | by synthesis |
| P-852453451 | N/A | As is | by synthesis |
| P-1272583915 | N/A | As is | in stock |
| P-854742388 | 95 | As is | in stock |
| P-888860238 | N/A | As is | in stock |
| P-889862817 | 95 | As is | by synthesis |
| P-613816744 | 95 | As is | in stock |
| P-498665267 | 97 | As is | 3.1746 kg |
| P-873227210 | 90 | As is | in stock |
| P-906782244 | 97 | As is | by synthesis |
| P-611392675 | 90 | As is | in stock |
| P-615641562 | 95 | As is | unavailable |
| P-1279170337 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.081 |
| logP | 3.00428 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 23.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.047 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
