MCULE-2991396394-0
- 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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 90 | 22 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-2991396394-0.sdf |
| SMILES | MCULE-2991396394-0.smiles |
| Standard InChI | MCULE-2991396394-0.inchi |
| InChIKey | MCULE-2991396394-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892870637 | 95 | As is | in stock |
| P-901283728 | N/A | As is | in stock |
| P-869339273 | 95 | As is | in stock |
| P-851890944 | N/A | As is | by synthesis |
| P-591141244 | 95 | As is | by synthesis |
| P-901513125 | 95 | As is | by synthesis |
| P-504731840 | 85 | As is | 5 mg |
| P-577179814 | 90 | As is | by synthesis |
| P-454756534 | 90 | As is | in stock |
| P-607694806 | 90 | As is | 24 mg |
| P-868594050 | 95 | As is | in stock |
| P-34459548 | 90 | As is | by synthesis |
| P-580776221 | 90 | As is | by resynthesis (? - ? days) |
| P-580765618 | 90 | As is | in stock |
| P-855942992 | 95 | As is | 1000 mg |
| P-580480613 | 95 | As is | by synthesis |
| P-852603003 | N/A | As is | in stock |
| P-854832869 | 95 | As is | by synthesis |
| P-491128726 | 95 | As is | by synthesis |
| P-18843143 | 90 | As is | in stock |
| P-12820205 | 90 | As is | 52 mg |
| P-33465672 | 90 | As is | in stock |
| P-502342407 | 90 | As is | in stock |
| P-855235396 | 90 | As is | in stock |
| P-596528525 | 90 | As is | 1.009 g |
| P-1144629 | 90 | As is | 1.009 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 292.712 |
| logP | 3.6258 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.8823 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

