CS-0146475
4-(3-Amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)pyrazin-2-yl)-N-((S)-1-(3-bromo-5-fluorophenyl)-2-((N-methyl-2-nitrophenyl)sulfonamido)ethyl)-2-fluorobenzamide
Manufacturer: ChemScene
CAS Number: 1715032-77-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₂H₃₀BrF₃N₆O₆S
Molecular Weight
763.58
Synonyms
None
SMILES
O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O)C3=CC=C(C4=NC([C@@H]5C[C@H](F)[C@@H](O)CC5)=CN=C4N)C=C3F
Tpsa
181.65
Logp
5.433
H Acceptors
9
H Donors
3
Rotatable Bonds
10
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₀BrF₃N₆O₆S
Molecular Weight: 763.58
Synonyms: None
SMILES: O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O)C3=CC=C(C4=NC([C@@H]5C[C@H](F)[C@@H](O)CC5)=CN=C4N)C=C3F
Tpsa: 181.65
Logp: 5.433
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₀BrF₃N₆O₆S
Molecular Weight:
763.58
Synonyms:
None
SMILES:
O=C(N[C@@H](C1=CC(F)=CC(Br)=C1)CN(C)S(=O)(C2=CC=CC=C2[N+]([O-])=O)=O)C3=CC=C(C4=NC([C@@H]5C[C@H](F)[C@@H](O)CC5)=CN=C4N)C=C3F
Tpsa:
181.65
Logp:
5.433
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
10
Purity: 98%
MDL No: MFCD07367957
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N
Molecular Weight: 145.20
Synonyms: 4,6-DIMETHYLINDOLE
SMILES: CC1=CC2=C(C(C)=C1)C=CN2
Tpsa: 15.79
Logp: 2.78474
H Acceptors: 0
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD07367957
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N
Molecular Weight:
145.20
Synonyms:
4,6-DIMETHYLINDOLE
SMILES:
CC1=CC2=C(C(C)=C1)C=CN2
Tpsa:
15.79
Logp:
2.78474
H Acceptors:
0
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄HBr₂N₃
Molecular Weight: 250.88
Synonyms: 3,5-dibromo-4-cyanopyrazole
SMILES: N#CC1=C(Br)NN=C1Br
Tpsa: 52.47
Logp: 1.80638
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄HBr₂N₃
Molecular Weight:
250.88
Synonyms:
3,5-dibromo-4-cyanopyrazole
SMILES:
N#CC1=C(Br)NN=C1Br
Tpsa:
52.47
Logp:
1.80638
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD00216007
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₈ClN₃O₃
Molecular Weight: 287.74
Synonyms: None
SMILES: Cl[H].O=C1C=CC(N1CC(CC2)CCC2C(NN)=O)=O
Tpsa: 92.5
Logp: 0.1295
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00216007
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₈ClN₃O₃
Molecular Weight:
287.74
Synonyms:
None
SMILES:
Cl[H].O=C1C=CC(N1CC(CC2)CCC2C(NN)=O)=O
Tpsa:
92.5
Logp:
0.1295
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3