Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2693002673
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 | 44 USD | 92 | 15 working days | Get Quote |
| 5 mg | 66 USD | 95 | 10 working days | Get Quote |
| 10 mg | 88 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-2693002673.sdf |
| SMILES | MCULE-2693002673.smiles |
| Standard InChI | MCULE-2693002673.inchi |
| InChIKey | MCULE-2693002673.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1265849323 | 95 | As is | in stock |
| P-1264895509 | 90 | As is | by synthesis |
| P-903031625 | 95 | As is | 1000 mg |
| P-591021386 | 95 | As is | by synthesis |
| P-852416493 | 95 | As is | by synthesis |
| P-885884016 | 90 | As an isomer | by synthesis |
| P-852105549 | 95 | As an isomer | by synthesis |
| P-613851265 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-851841535 | N/A | As an isomer | by synthesis |
| P-893231718 | 95 | As an isomer | in stock |
| P-874494474 | 90 | As an isomer | 107 mg |
| P-503079978 | 90 | As an isomer | by synthesis |
| P-502637431 | 90 | As an isomer | in stock |
| P-675396754 | 90 | As an isomer | in stock |
| P-13939113 | 92 | As an isomer | 223 mg |
| P-454397378 | 95 | As an isomer | 103.46 g |
| P-18772286 | 95 | As an isomer | 3.46 g |
| P-14231099 | 90 | As an isomer | 65 mg |
| P-621154284 | 90 | As an isomer | by synthesis |
| P-424806350 | 90 | As an isomer | in stock |
| P-23314091 | 90 | As an isomer | in stock |
| P-502408453 | 90 | As an isomer | in stock |
| P-907206619 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-906868823 | 95 | As an isomer | by synthesis |
| P-611485064 | 90 | As an isomer | in stock |
| P-2206064 | 90 | As an isomer | 83 mg |
| P-886924792 | 95 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.279 |
| logP | 3.2969 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.7635 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
