MCULE-9547538729-0
- 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 | 6 USD | 85 | 22 working days | Get Quote |
| 5 mg | 6 USD | 85 | 22 working days | Get Quote |
| 10 mg | 6 USD | 85 | 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.
-
MCULE-8165755807-0
- Component type: Unknown
-
MCULE-6792424762-0
- Component type: Main
-
MCULE-7197475456-0
- Component type: Main
-
MCULE-5035439873-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9547538729-0.sdf |
| SMILES | MCULE-9547538729-0.smiles |
| Standard InChI | MCULE-9547538729-0.inchi |
| InChIKey | MCULE-9547538729-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270412619 | 95 | As is | by synthesis |
| P-867606009 | 98 | As is | in stock |
| P-867618313 | 85 | As is | in stock |
| P-1275162397 | 98 | As is | in stock |
| P-1275173701 | 98 | As is | in stock |
| P-1275161998 | 99 | As is | in stock |
| P-1275147165 | 95 | As is | in stock |
| P-1275189928 | 85 | As is | in stock |
| P-1270321406 | 97 | As is | in stock |
| P-580247974 | 95 | As is | by synthesis |
| P-851925739 | N/A | As is | in stock |
| P-851941189 | N/A | As is | in stock |
| P-851941322 | N/A | As is | in stock |
| P-851941932 | N/A | As is | in stock |
| P-596984880 | 97 | As is | 150 g |
| P-865916585 | 90 | As is | 5 kg |
| P-1273441061 | 95 | As is | by resynthesis (? - ? days) |
| P-1273370093 | 95 | As is | by resynthesis (? - ? days) |
| P-1273454946 | 95 | As is | by resynthesis (? - ? days) |
| P-1263770987 | 95 | As is | by synthesis |
| P-864188505 | 90 | As is | in stock |
| P-901504073 | 95 | As is | by synthesis |
| P-893229030 | 95 | As is | in stock |
| P-893235135 | 95 | As is | in stock |
| P-893235173 | 95 | As is | in stock |
| P-517095266 | 90 | As is | in stock |
| P-580442670 | 95 | As is | by resynthesis (? - ? days) |
| P-889117449 | N/A | As is | 66.85 g |
| P-1275224397 | 90 | As is | 10 g |
| P-862056951 | 90 | As is | 103.325 g |
| P-1264359016 | N/A | As is | 550 g |
| P-905324961 | 99 | As is | 462 g |
| P-608220708 | 99 | As is | in stock |
| P-870659462 | N/A | As is | in stock |
| P-870662037 | 85 | As is | in stock |
| P-870662110 | 65 | As is | in stock |
| P-675217521 | 95 | As is | in stock |
| P-675217526 | 95 | As is | in stock |
| P-588709777 | 90 | As is | unavailable |
| P-856009248 | 85 | As is | 1.428 g |
| P-856041222 | 90 | As is | unavailable |
| P-31248699 | 90 | As is | unavailable |
| P-613284290 | 95 | As is | by synthesis |
| P-580514036 | 90 | As is | in stock |
| P-862531535 | N/A | As is | by synthesis |
| P-608278975 | 98 | As is | in stock |
| P-622582129 | 90 | As is | by synthesis |
| P-885537163 | 95 | As is | by synthesis |
| P-579712051 | 98 | As is | in stock |
| P-579704253 | N/A | As is | in stock |
| P-869176372 | 95 | As is | in stock |
| P-869177177 | 95 | As is | in stock |
| P-892295270 | 95 | As is | unavailable |
| P-580050186 | 95 | As is | 1.691 g |
| P-594273664 | 95 | As is | 794 mg |
| P-892292918 | 95 | As is | 3.691 g |
| P-892337668 | 95 | As is | 4.622 g |
| P-892328405 | 95 | As is | 3.691 g |
| P-502366777 | 90 | As is | in stock |
| P-33163659 | 90 | As is | 1000 mg |
| P-906897621 | 85 | As is | by synthesis |
| P-611447431 | 90 | As is | in stock |
| P-855030398 | 90 | As is | in stock |
| P-855030399 | 90 | As is | in stock |
| P-855030400 | 90 | As is | in stock |
| P-1271634649 | 98 | As is | in stock |
| P-1271956354 | N/A | As a main component | 75 g |
| P-1274838488 | 95 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.461 |
| logP | 6.1085 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 15 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 89.9378 |
| Atoms | 54 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 34 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

