Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5587237094-0
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 | 28 USD | 98 | 22 working days | Get Quote |
| 5 mg | 29 USD | 98 | 20 working days | Get Quote |
| 10 mg | 45 USD | 98 | 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-5587237094-0.sdf |
| SMILES | MCULE-5587237094-0.smiles |
| Standard InChI | MCULE-5587237094-0.inchi |
| InChIKey | MCULE-5587237094-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604209 | 98 | As is | in stock |
| P-875762034 | 98 | As is | in stock |
| P-579761938 | 98 | As is | by resynthesis (? - ? days) |
| P-580193533 | 98 | As is | in stock |
| P-1264046916 | 95 | As is | in stock |
| P-610974932 | 90 | As is | 32.989 g |
| P-1270313398 | 98 | As is | in stock |
| P-606832467 | N/A | As is | in stock |
| P-489227059 | 97 | As is | in stock |
| P-596960050 | 98 | As is | 1.86 g |
| P-1273453556 | 95 | As is | by resynthesis (? - ? days) |
| P-1273458117 | 95 | As is | by resynthesis (? - ? days) |
| P-864132174 | 95 | As is | in stock |
| P-860056550 | 98 | As is | by synthesis |
| P-868544174 | 99 | As is | in stock |
| P-580719293 | 98 | As is | 750 mg |
| P-871222037 | N/A | As is | by resynthesis (? - ? days) |
| P-893235942 | 95 | As is | in stock |
| P-881633862 | 98 | As is | in stock |
| P-851260440 | 95 | As is | by synthesis |
| P-860799419 | 98 | As is | in stock |
| P-580452300 | 98 | As is | in stock |
| P-861500414 | 98 | As is | by synthesis |
| P-579479142 | 95 | As is | in stock |
| P-580392388 | N/A | As is | by resynthesis (? - ? days) |
| P-901407388 | 98 | As is | 1.86 g |
| P-1275227131 | 98 | As is | 5 mg |
| P-1273109199 | 97 | As is | 100 mg |
| P-852531254 | 95 | As is | by synthesis |
| P-1275893113 | 95 | As is | by synthesis |
| P-854714891 | 95 | As is | in stock |
| P-474026094 | 95 | As is | in stock |
| P-608275489 | 98 | As is | in stock |
| P-579711401 | 98 | As is | in stock |
| P-892290013 | 95 | As is | unavailable |
| P-869122574 | 95 | As is | 207 mg |
| P-888636915 | 95 | As is | 207 mg |
| P-906899266 | 98 | As is | in stock |
| P-1271717931 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 520.624 |
| logP | 6.9952 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 77.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.7987 |
| Atoms | 71 |
| Rings | 7 |
| Heavy atoms | 39 |
| Hydrogen atoms | 32 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
