Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2591976233
Compound
Show structures
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 38 USD | 98 | 22 working days | Get Quote |
| 10 mg | 59 USD | 98 | 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-2591976233.sdf |
| SMILES | MCULE-2591976233.smiles |
| Standard InChI | MCULE-2591976233.inchi |
| InChIKey | MCULE-2591976233.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693185 | 98 | As is | in stock |
| P-875873111 | 98 | As is | in stock |
| P-874647085 | 98 | As is | by resynthesis (? - ? days) |
| P-903365879 | 98 | As is | 1.25 g |
| P-1264050370 | 95 | As is | in stock |
| P-893608748 | 90 | As is | in stock |
| P-1270304614 | 98 | As is | in stock |
| P-851944736 | N/A | As is | in stock |
| P-865937969 | 98 | As is | 250 mg |
| P-1273452428 | 95 | As is | by resynthesis (? - ? days) |
| P-1273458099 | 95 | As is | by resynthesis (? - ? days) |
| P-889568275 | 95 | As is | in stock |
| P-613859743 | 98 | As is | 1.134 g |
| P-901567341 | 95 | As is | by synthesis |
| P-861380938 | 95 | As is | by synthesis |
| P-901407129 | 99 | As is | 1.25 g |
| P-873247032 | 97 | As is | 5 mg |
| P-1279060992 | N/A | As is | by synthesis |
| P-854717674 | 95 | As is | in stock |
| P-888172094 | 98 | As is | by synthesis |
| P-892298882 | 95 | As is | unavailable |
| P-869163114 | 95 | As is | 101 mg |
| P-888658518 | 95 | As is | 101 mg |
| P-906800166 | 98 | As is | by synthesis |
| P-1271714610 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 421.275 |
| logP | 6.3433 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 73.57 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 117.6206 |
| Atoms | 43 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
