CS-0914074
4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-1-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)phenyl)piperazin-2-one
Manufacturer: ChemScene
CAS Number: 357189-94-7
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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
C₃₇H₄₀F₂N₈O₅
Molecular Weight
714.76
Synonyms
None
SMILES
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CC(=O)N(CC3)C4=CC=C(C=C4)N5C(=O)N([C@H]([C@H](C)O)CC)N=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa
132.77
Logp
4.0998
H Acceptors
12
H Donors
1
Rotatable Bonds
12
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₃₇H₄₀F₂N₈O₅
Molecular Weight: 714.76
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CC(=O)N(CC3)C4=CC=C(C=C4)N5C(=O)N([C@H]([C@H](C)O)CC)N=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa: 132.77
Logp: 4.0998
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:
C₃₇H₄₀F₂N₈O₅
Molecular Weight:
714.76
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CC(=O)N(CC3)C4=CC=C(C=C4)N5C(=O)N([C@H]([C@H](C)O)CC)N=C5)CO1)C6=C(F)C=C(F)C=C6)N7C=NC=N7
Tpsa:
132.77
Logp:
4.0998
H Acceptors:
12
H Donors:
1
Rotatable Bonds:
12
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃F₂N₃O
Molecular Weight: 277.27
Synonyms: None
SMILES: C([C@@]1(CC(=C)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃F₂N₃O
Molecular Weight:
277.27
Synonyms:
None
SMILES:
C([C@@]1(CC(=C)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₈F₄N₆O₃
Molecular Weight: 572.55
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC[C@H]2C[C@@](CN3C=NC=N3)(OC2)C4=C(F)C=C(F)C=C4)CO1)C5=C(F)C=C(F)C=C5)N6C=NC=N6
Tpsa: 89.11
Logp: 4.0068
H Acceptors: 9
H Donors: 0
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:
C₂₈H₂₈F₄N₆O₃
Molecular Weight:
572.55
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC[C@H]2C[C@@](CN3C=NC=N3)(OC2)C4=C(F)C=C(F)C=C4)CO1)C5=C(F)C=C(F)C=C5)N6C=NC=N6
Tpsa:
89.11
Logp:
4.0068
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
10
Purity: 97%
MDL No: MFCD10000541
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂IO₂
Molecular Weight: 354.13
Synonyms: None
SMILES: C(I)[C@@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD10000541
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃F₂IO₂
Molecular Weight:
354.13
Synonyms:
None
SMILES:
C(I)[C@@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A