| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 13 | Yes |
Popular Name: 5-bromo-1-benzofuran-2-carboxylic acid 5-bromo-1-benzofuran-2-carboxyli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10242-11-2 , [10242-11-2]
2-Benzofurancarboxylic acid, 5-bromo-
2-Benzofurancarboxylicacid, 5-bromo-
5-Bromo benzo furan 2-carboxylic acid
5-bromo-1-benzofuran-2-carboxylicacid
5-Bromo-benzofuran-2-carboxylic acid
5-Bromobenzofuran-2-carboxylic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.86 | 0.23 | -46.79 | 0 | 3 | -1 | 53 | 240.032 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 257 - 260 | Acros Organics |
| MP | 260 - 262 | Enamine Building Blocks |
| MP | 260-262° | Matrix Scientific |
| MP | 260...262 | Enamine Building Blocks |
| melting_point | 295 - 298 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8500 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 8500 | 0.55 | Binding ≤ 10μM |
