| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: 3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE 3-(1-PIPERAZINYL)-1,2-BENZISOTHI…
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CAS Numbers: 144010-02-6 , 87691-87-0 , 87691-88-1 , [144010-02-6]
1,2-benzisothiazole, 3-(1-piperazinyl)-, monohydrochloride
1,2-Benzisothiazole,3-(1-piperazinyl),hydrochloride
3-(1-Piperazinyl)-1,2-benzisothiazole HCl
3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride
3-(piperazin-1-yl)-1,2-benzothiazole
3-(Piperazin-1-yl)benzo[d]isothiazole
3-(Piperazin-1-yl)benzo[d]isothiazole hydrochloride
3-(Piperazin-1-yl)benzo[d]isothiazole xhydrochloride
3-piperazin-1-yl-1,2-benzisothiazole
3-piperazin-1-yl-1,2-benzisothiazole hydrochloride
3-Piperazin-1-yl-benzo[d]isothiazole
3-Piperazin-1-yl-benzo[d]isothiazole HCl
3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride
3-Piperazinobenzisothiazole hydrochloride
3-Piperazinyl-1,2-benzisothiazole hydrochloride
3-Piperazinyl-1,2-benzisothiazole, HCl
| 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) | 1.89 | 5.43 | -43.8 | 2 | 3 | 1 | 33 | 220.321 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.12 | -6.51 | 1 | 3 | 0 | 28 | 219.313 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 320° | Matrix Scientific |
| MP | 86-91° | Matrix Scientific |
| melting_point | 88 - 92 | KeyOrganics |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 190 | 0.63 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 110 | 0.65 | Binding ≤ 10μM |
| Z104304-3-O | Adrenergic Receptor Alpha-1 (cluster #3 Of 3), Other | Other | 510 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 510 | 0.59 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 190 | 0.63 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 110 | 0.65 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 510 | 0.59 | Binding ≤ 10μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 190 | 0.63 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 110 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.