MCULE-4200665273
- 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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 32 USD | N/A | 9 working days | Get Quote |
| 10 mg | 53 USD | 98 | 14 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-4200665273.sdf |
| SMILES | MCULE-4200665273.smiles |
| Standard InChI | MCULE-4200665273.inchi |
| InChIKey | MCULE-4200665273.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538983 | 97 | As is | in stock |
| P-875694788 | N/A | As is | in stock |
| P-903016568 | 98 | As is | 2.75 g |
| P-1264048847 | 95 | As is | in stock |
| P-893519215 | 90 | As is | 3.333 g |
| P-606931105 | N/A | As is | in stock |
| P-596937381 | 98 | As is | 1.25 g |
| P-872727735 | 98 | As is | in stock |
| P-895928968 | 95 | As is | by resynthesis (? - ? days) |
| P-864105870 | 95 | As is | in stock |
| P-896540209 | 98 | As is | in stock |
| P-580697752 | 97 | As is | 2.35 g |
| P-851241329 | 95 | As is | by synthesis |
| P-861413375 | 95 | As is | by synthesis |
| P-868659945 | 95 | As is | in stock |
| P-580417212 | 95 | As is | by resynthesis (? - ? days) |
| P-500418517 | N/A | As is | in stock |
| P-454420644 | 95 | As is | 1000 mg |
| P-580478665 | N/A | As is | by synthesis |
| P-852440271 | N/A | As is | in stock |
| P-905146177 | 95 | As is | by synthesis |
| P-872798231 | 95 | As is | in stock |
| P-584616082 | 95 | As is | in stock |
| P-888172066 | 98 | As is | by synthesis |
| P-578148210 | 90 | As is | 4.072 g |
| P-889866055 | 95 | As is | by synthesis |
| P-873279613 | N/A | As is | in stock |
| P-596762622 | 95 | As is | 2.71 g |
| P-869163095 | 95 | As is | by synthesis |
| P-892298869 | 95 | As is | unavailable |
| P-888658505 | 95 | As is | 150 mg |
| P-611382445 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 327.335 |
| logP | 3.5452 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 77.75 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.1421 |
| Atoms | 38 |
| Rings | 5 |
| Heavy atoms | 25 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

