| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 19 | Yes |
Popular Name: 2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene 2-(((4-Chlorophenyl)sulfonyl)met…
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CAS Number: 470716-51-9
2-((4-chlorophenylsulfonyl)methyl)-1,4-difluorobenzene
| 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) | 3.34 | 6.57 | -10.8 | 0 | 2 | 0 | 34 | 302.729 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APH1A-1-E | Gamma-secretase Subunit APH-1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| APH1B-1-E | Gamma-secretase Subunit APH-1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| NICA-1-E | Nicastrin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| PEN2-1-E | Gamma-secretase Subunit PEN-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| PSN1-2-E | Presenilin-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| PSN2-2-E | Presenilin-2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4408 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| APH1A_HUMAN | Q96BI3 | Gamma-secretase Subunit APH-1A, Human | 4408 | 0.39 | Functional ≤ 10μM |
| APH1B_HUMAN | Q8WW43 | Gamma-secretase Subunit APH-1B, Human | 4408 | 0.39 | Functional ≤ 10μM |
| PEN2_HUMAN | Q9NZ42 | Gamma-secretase Subunit PEN-2, Human | 4408 | 0.39 | Functional ≤ 10μM |
| NICA_HUMAN | Q92542 | Nicastrin, Human | 4408 | 0.39 | Functional ≤ 10μM |
| PSN1_HUMAN | P49768 | Presenilin 1, Human | 4408 | 0.39 | Functional ≤ 10μM |
| PSN2_HUMAN | P49810 | Presenilin 2, Human | 4408 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated NOTCH1 Transmits Signal to the Nucleus | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Degradation of the extracellular matrix | |
| EPH-ephrin mediated repulsion of cells | |
| NOTCH2 Activation and Transmission of Signal to the Nucleus | |
| NRIF signals cell death from the nucleus | |
| Nuclear signaling by ERBB4 | |
| Regulated proteolysis of p75NTR | |
| Signaling by NOTCH3 | |
| Signaling by NOTCH4 |
