CS-1096846
(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(4-((1-(piperidin-4-ylmethyl)piperidin-4-yl)methyl)piperazin-1-yl)acetamido)butanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide 2,2,2-trifluoroacetate
Manufacturer: ChemScene
CAS Number: None
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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
C₄₃H₆₅F₃N₈O₆S
Molecular Weight
879.09
Synonyms
None
SMILES
O=C([C@H]1N(C([C@@H](NC(CN2CCN(CC3CCN(CC4CCNCC4)CC3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C.OC(C(F)(F)F)=O
Tpsa
170.68
Logp
3.75092
H Acceptors
11
H Donors
5
Rotatable Bonds
12
Other Options
...
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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: C₄₃H₆₅F₃N₈O₆S
Molecular Weight: 879.09
Synonyms: None
SMILES: O=C([C@H]1N(C([C@@H](NC(CN2CCN(CC3CCN(CC4CCNCC4)CC3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C.OC(C(F)(F)F)=O
Tpsa: 170.68
Logp: 3.75092
H Acceptors: 11
H Donors: 5
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₅F₃N₈O₆S
Molecular Weight:
879.09
Synonyms:
None
SMILES:
O=C([C@H]1N(C([C@@H](NC(CN2CCN(CC3CCN(CC4CCNCC4)CC3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C.OC(C(F)(F)F)=O
Tpsa:
170.68
Logp:
3.75092
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂N₂O₃
Molecular Weight: 290.36
Synonyms: None
SMILES: O=C(N1CCC2(C(C3=CC=CN3C2)=O)CC1)OC(C)(C)C
Tpsa: 51.54
Logp: 2.7017
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂N₂O₃
Molecular Weight:
290.36
Synonyms:
None
SMILES:
O=C(N1CCC2(C(C3=CC=CN3C2)=O)CC1)OC(C)(C)C
Tpsa:
51.54
Logp:
2.7017
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₆F₈O₃
Molecular Weight: 398.20
Synonyms: None
SMILES: O=C(OC(C1=CC=C(F)C=C1C(F)(F)F)=O)C2=CC=C(F)C=C2C(F)(F)F
Tpsa: 43.37
Logp: 4.9996
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₆F₈O₃
Molecular Weight:
398.20
Synonyms:
None
SMILES:
O=C(OC(C1=CC=C(F)C=C1C(F)(F)F)=O)C2=CC=C(F)C=C2C(F)(F)F
Tpsa:
43.37
Logp:
4.9996
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrFN₂
Molecular Weight: 229.05
Synonyms: None
SMILES: CN1N=C2C=CC(Br)=C(F)C2=C1
Tpsa: 17.82
Logp: 2.4749
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrFN₂
Molecular Weight:
229.05
Synonyms:
None
SMILES:
CN1N=C2C=CC(Br)=C(F)C2=C1
Tpsa:
17.82
Logp:
2.4749
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0