CS-0914480
benzyl(3S,4R)-3-ethyl-4-(N-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)- N-(2,2,2-trifluoroacetyl)glycyl)pyrrolidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2715120-88-8
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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
C₃₁H₃₀F₃N₅O₆S
Molecular Weight
657.66
Synonyms
None
SMILES
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(C(F)(F)F)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa
131.77
Logp
4.73592
H Acceptors
9
H Donors
0
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2715120-88-8 | | A2B Chem | -- |
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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: C₃₁H₃₀F₃N₅O₆S
Molecular Weight: 657.66
Synonyms: None
SMILES: S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(C(F)(F)F)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa: 131.77
Logp: 4.73592
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₀F₃N₅O₆S
Molecular Weight:
657.66
Synonyms:
None
SMILES:
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(C(F)(F)F)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa:
131.77
Logp:
4.73592
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight: 1356.35
Synonyms: None
SMILES: [C-](#N)[Co+3]1234[N]=5[C@@]6(C)[C@@]7([N-]1C([C@@](C)([C@H]7CC(N)=O)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]8C(O)([C@@H](N9C=[N]2C=%10C9=CC(C)=C(C)C%10)O[C@@H]8CO)[H])=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5[C@@H](CCC(N)=O)[C@@]6(CC(N)=O)C)[C@](CC(O)=O)(C)[C@@H]%12CCC(N)=O)C(C)(C)[C@@H]%11CCC(N)=O)[H]
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:
C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight:
1356.35
Synonyms:
None
SMILES:
[C-](#N)[Co+3]1234[N]=5[C@@]6(C)[C@@]7([N-]1C([C@@](C)([C@H]7CC(N)=O)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]8C(O)([C@@H](N9C=[N]2C=%10C9=CC(C)=C(C)C%10)O[C@@H]8CO)[H])=C(C)C%11=[N]3C(=CC%12=[N]4C(=C(C)C5[C@@H](CCC(N)=O)[C@@]6(CC(N)=O)C)[C@](CC(O)=O)(C)[C@@H]%12CCC(N)=O)C(C)(C)[C@@H]%11CCC(N)=O)[H]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight: 1356.35
Synonyms: None
SMILES: N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)O)C(C)(C)C%10CCC(=O)N)C)C)C7O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight:
1356.35
Synonyms:
None
SMILES:
N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)O)C(C)(C)C%10CCC(=O)N)C)C)C7O
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: C₆₃H₈₆CoN₁₂O₁₆P
Molecular Weight: 1357.33
Synonyms: None
SMILES: N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)O)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)O)C)C)C7O
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:
C₆₃H₈₆CoN₁₂O₁₆P
Molecular Weight:
1357.33
Synonyms:
None
SMILES:
N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)N)C%12CCC(=O)O)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)O)C)C)C7O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A