| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 13 | Yes |
Popular Name: 5-Bromoindole-2-carboxylic acid 5-Bromoindole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7254-19-5 , [7254-19-5]
1H-Indole-2-carboxylic acid, 5-bromo-
5-bromo-1H-indole-2-carboxylic acid
5-BROMO-2-INDOLECARBOXYLIC ACID
5-Bromoindole-2-carboxylic acid, 98%
| 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) | 2.76 | -1.39 | -43.83 | 1 | 3 | -1 | 56 | 239.048 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 283 - 285 | Enamine Building Blocks |
| MP | 283...285 | Enamine Building Blocks |
| melting_point | 287 - 288 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | 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 |
|---|---|---|---|---|---|
| A3EZI9-1-V | Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral | Viruses | 200 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 200 | 0.72 | Binding ≤ 1μM |
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 200 | 0.72 | Binding ≤ 10μM |
