CS-0159202
tert-Butyl 1-(1-((benzyloxy)carbonyl)piperidin-4-yl)-3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
Manufacturer: ChemScene
CAS Number: 1936431-35-4
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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
C₃₈H₄₅F₂N₇O₄
Molecular Weight
701.81
Synonyms
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-[1-[(phenylmethoxy)carbonyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
SMILES
O=C(N1CCC(N(C2CCN(C(OCC3=CC=CC=C3)=O)CC2)N=C4N5CCCC6=C5C=C(C(F)F)C(C7=CN(C)N=C7)=C6)=C4C1)OC(C)(C)C
Tpsa
97.96
Logp
7.5724
H Acceptors
9
H Donors
0
Rotatable Bonds
6
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: C₃₈H₄₅F₂N₇O₄
Molecular Weight: 701.81
Synonyms: 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-[1-[(phenylmethoxy)carbonyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
SMILES: O=C(N1CCC(N(C2CCN(C(OCC3=CC=CC=C3)=O)CC2)N=C4N5CCCC6=C5C=C(C(F)F)C(C7=CN(C)N=C7)=C6)=C4C1)OC(C)(C)C
Tpsa: 97.96
Logp: 7.5724
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₄₅F₂N₇O₄
Molecular Weight:
701.81
Synonyms:
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-[7-(difluoromethyl)-3,4-dihydro-6-(1-methyl-1H-pyrazol-4-yl)-1(2H)-quinolinyl]-1,4,6,7-tetrahydro-1-[1-[(phenylmethoxy)carbonyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CCC(N(C2CCN(C(OCC3=CC=CC=C3)=O)CC2)N=C4N5CCCC6=C5C=C(C(F)F)C(C7=CN(C)N=C7)=C6)=C4C1)OC(C)(C)C
Tpsa:
97.96
Logp:
7.5724
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₅N₅O₉
Molecular Weight: 645.66
Synonyms: None
SMILES: OC(COCNC(CNC([C@H](CC1=CC=CC=C1)NC(CNC(CNC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)=O)=O)=O)=O)=O
Tpsa: 201.26
Logp: 0.6599
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 16
Purity:
95%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅N₅O₉
Molecular Weight:
645.66
Synonyms:
None
SMILES:
OC(COCNC(CNC([C@H](CC1=CC=CC=C1)NC(CNC(CNC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)=O)=O)=O)=O)=O
Tpsa:
201.26
Logp:
0.6599
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: ₁₃C₉H₁₅ ₁₅N₂O₁₅P₃.xNa
Molecular Weight: None
Synonyms: UTP-<sup>13</sup>C<sub>9</sub>,<sup>15</sup>N<sub>2</sub> (sodium);Uridine 5'-triphosphate-<sup>13</sup>C<sub>9</sub>,<sup>15</sup>N<sub>2</sub> (sodium)
SMILES: O[13C@@H]([13C@@]([H])(O[13C@@H]1[13CH2]OP(OP(OP(O)(O)=O)(O)=O)(O)=O)[15N]([13C]([15NH]2)=O)[13CH]=[13CH][13C]2=O)[13C@@H]1O
Tpsa: 270.03
Logp: -9.7569
H Acceptors: 14
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
₁₃C₉H₁₅ ₁₅N₂O₁₅P₃.xNa
Molecular Weight:
None
Synonyms:
UTP-<sup>13</sup>C<sub>9</sub>,<sup>15</sup>N<sub>2</sub> (sodium);Uridine 5'-triphosphate-<sup>13</sup>C<sub>9</sub>,<sup>15</sup>N<sub>2</sub> (sodium)
SMILES:
O[13C@@H]([13C@@]([H])(O[13C@@H]1[13CH2]OP(OP(OP(O)(O)=O)(O)=O)(O)=O)[15N]([13C]([15NH]2)=O)[13CH]=[13CH][13C]2=O)[13C@@H]1O
Tpsa:
270.03
Logp:
-9.7569
H Acceptors:
14
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD11205284
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO₃S
Molecular Weight: 263.31
Synonyms: None
SMILES: O=S(C1=CC=C(OCC2=CC=CC=C2)C=C1)(N)=O
Tpsa: 69.39
Logp: 1.913
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD11205284
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO₃S
Molecular Weight:
263.31
Synonyms:
None
SMILES:
O=S(C1=CC=C(OCC2=CC=CC=C2)C=C1)(N)=O
Tpsa:
69.39
Logp:
1.913
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4