CS-0655086
4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2R,3R)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one-1
Manufacturer: ChemScene
CAS Number: 2180759-84-4
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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
C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
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: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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:
C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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: C₁₃H₁₈N₂O₂
Molecular Weight: 234.29
Synonyms: None
SMILES: C[C@@H](OCC1=CC=CC=C1)/C(CC)=N/NC=O
Tpsa: 50.69
Logp: 2.1037
H Acceptors: 3
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:
C₁₃H₁₈N₂O₂
Molecular Weight:
234.29
Synonyms:
None
SMILES:
C[C@@H](OCC1=CC=CC=C1)/C(CC)=N/NC=O
Tpsa:
50.69
Logp:
2.1037
H Acceptors:
3
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: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: C[C@H](O)[C@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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:
C[C@H](O)[C@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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: C[C@@H](O)[C@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5C[C@@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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:
C[C@@H](O)[C@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@@H]5C[C@@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
Tpsa:
115.7
Logp:
4.5732
H Acceptors:
12
H Donors:
1
Rotatable Bonds:
12