Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1291319639-0
Structure
Show compound
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 | 29 USD | 95 | 7 working days | Get Quote |
| 5 mg | 47 USD | 98 | 22 working days | Get Quote |
| 10 mg | 65 USD | 95 | 20 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-1291319639-0.sdf |
| SMILES | MCULE-1291319639-0.smiles |
| Standard InChI | MCULE-1291319639-0.inchi |
| InChIKey | MCULE-1291319639-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678027 | N/A | As is | in stock |
| P-875855351 | N/A | As is | in stock |
| P-869330607 | 95 | As is | by resynthesis (? - ? days) |
| P-903298929 | 95 | As is | 250 mg |
| P-893610304 | 90 | As is | 4.8 g |
| P-1270293512 | 95 | As is | in stock |
| P-878259798 | N/A | As is | in stock |
| P-865931443 | 95 | As is | 500 mg |
| P-1273454470 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473134 | 95 | As is | by resynthesis (? - ? days) |
| P-864147582 | 95 | As is | in stock |
| P-860056097 | 98 | As is | by synthesis |
| P-868544879 | 100 | As is | in stock |
| P-890238650 | 95 | As is | 220 mg |
| P-872748339 | 94 | As is | in stock |
| P-900266167 | 95 | As is | in stock |
| P-862139450 | 95 | As is | 500 mg |
| P-900956548 | 95 | As is | in stock |
| P-1273109127 | 95 | As is | 230 mg |
| P-1275598630 | 95 | As is | by synthesis |
| P-854718791 | 95 | As is | in stock |
| P-872672818 | 95 | As is | in stock |
| P-888174780 | 98 | As is | by synthesis |
| P-491319266 | 95 | As is | by synthesis |
| P-892300453 | 95 | As is | unavailable |
| P-869164479 | 95 | As is | 150 mg |
| P-888659643 | 95 | As is | 150 mg |
| P-906880105 | 95 | As is | by synthesis |
| P-1271718187 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 378.387 |
| logP | 5.0946 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 41.57 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 101.5992 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
