CS-0655110
4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one-1
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
C₃₇H₄₂F₂N₈O₄
Molecular Weight
700.78
Synonyms
None
SMILES
CCC([C@@H](O)C)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](C5)CO[C@@]5(CN6C=NC=N6)C7=CC=C(F)C=C7F
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
Other Options
...
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: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: CCC([C@@H](O)C)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](C5)CO[C@@]5(CN6C=NC=N6)C7=CC=C(F)C=C7F
Tpsa: 115.7
Logp: 4.5732
H Acceptors: 12
H Donors: 1
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:
C₃₇H₄₂F₂N₈O₄
Molecular Weight:
700.78
Synonyms:
None
SMILES:
CCC([C@@H](O)C)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](C5)CO[C@@]5(CN6C=NC=N6)C7=CC=C(F)C=C7F
Tpsa:
115.7
Logp:
4.5732
H Acceptors:
12
H Donors:
1
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: C₂₁H₂₁F₂N₃O₄S
Molecular Weight: 449.47
Synonyms: None
SMILES: FC1=C([C@@]2(CN3C=NC=N3)OC[C@H](COS(C4=CC=C(C)C=C4)(=O)=O)C2)C=CC(F)=C1
Tpsa: 83.31
Logp: 3.20222
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₁F₂N₃O₄S
Molecular Weight:
449.47
Synonyms:
None
SMILES:
FC1=C([C@@]2(CN3C=NC=N3)OC[C@H](COS(C4=CC=C(C)C=C4)(=O)=O)C2)C=CC(F)=C1
Tpsa:
83.31
Logp:
3.20222
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: FC(C=C1F)=CC=C1[C@]2(C[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N6C=NN([C@@H](CC)[C@@H](O)C)C6=O)C=C5)CC4)C=C3)CO2)CN7N=CN=C7
Tpsa: 115.7
Logp: 4.5732
H Acceptors: 12
H Donors: 1
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:
C₃₇H₄₂F₂N₈O₄
Molecular Weight:
700.78
Synonyms:
None
SMILES:
FC(C=C1F)=CC=C1[C@]2(C[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N6C=NN([C@@H](CC)[C@@H](O)C)C6=O)C=C5)CC4)C=C3)CO2)CN7N=CN=C7
Tpsa:
115.7
Logp:
4.5732
H Acceptors:
12
H Donors:
1
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: C₁₄H₁₈O₄
Molecular Weight: 250.29
Synonyms: None
SMILES: COC(C=C1)=CC=C1CO[C@H](C=C)[C@@H]([C@@]2([H])CO2)O
Tpsa: 51.22
Logp: 1.5261
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈O₄
Molecular Weight:
250.29
Synonyms:
None
SMILES:
COC(C=C1)=CC=C1CO[C@H](C=C)[C@@H]([C@@]2([H])CO2)O
Tpsa:
51.22
Logp:
1.5261
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7