CS-0369973
PD-1/PD-L1-IN-12
Manufacturer: ChemScene
CAS Number: 2691796-82-2
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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
C₄₆H₅₁ClN₄O₇
Molecular Weight
807.37
Synonyms
1-Piperazinecarboxylic acid, 4-[[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-2-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester
SMILES
N#CC1=CC=CC(COC2=CC(OCC3=CC=CC(C4=CC=C5OCCOC5=C4)=C3C)=C(C=C2CN6CCCCC6C(N7CCN(CC7)C(OC(C)(C)C)=O)=O)Cl)=C1
Tpsa
113.8
Logp
8.5501
H Acceptors
9
H Donors
0
Rotatable Bonds
10
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: C₄₆H₅₁ClN₄O₇
Molecular Weight: 807.37
Synonyms: 1-Piperazinecarboxylic acid, 4-[[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-2-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester
SMILES: N#CC1=CC=CC(COC2=CC(OCC3=CC=CC(C4=CC=C5OCCOC5=C4)=C3C)=C(C=C2CN6CCCCC6C(N7CCN(CC7)C(OC(C)(C)C)=O)=O)Cl)=C1
Tpsa: 113.8
Logp: 8.5501
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:
C₄₆H₅₁ClN₄O₇
Molecular Weight:
807.37
Synonyms:
1-Piperazinecarboxylic acid, 4-[[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-2-piperidinyl]carbonyl]-, 1,1-dimethylethyl ester
SMILES:
N#CC1=CC=CC(COC2=CC(OCC3=CC=CC(C4=CC=C5OCCOC5=C4)=C3C)=C(C=C2CN6CCCCC6C(N7CCN(CC7)C(OC(C)(C)C)=O)=O)Cl)=C1
Tpsa:
113.8
Logp:
8.5501
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: C₁₂H₁₀N₂O₃
Molecular Weight: 230.22
Synonyms: N-ACETYL-4-NITRO-1-NAPHTHYLAMINE
SMILES: CC(NC1=C2C=CC=CC2=C([N+]([O-])=O)C=C1)=O
Tpsa: 72.24
Logp: 2.7064
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀N₂O₃
Molecular Weight:
230.22
Synonyms:
N-ACETYL-4-NITRO-1-NAPHTHYLAMINE
SMILES:
CC(NC1=C2C=CC=CC2=C([N+]([O-])=O)C=C1)=O
Tpsa:
72.24
Logp:
2.7064
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N₃O₄
Molecular Weight: 237.21
Synonyms: None
SMILES: NC1=C2CCCCC2=C([N+]([O-])=O)C=C1[N+]([O-])=O
Tpsa: 112.3
Logp: 1.964
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N₃O₄
Molecular Weight:
237.21
Synonyms:
None
SMILES:
NC1=C2CCCCC2=C([N+]([O-])=O)C=C1[N+]([O-])=O
Tpsa:
112.3
Logp:
1.964
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄N₂O₃
Molecular Weight: 234.25
Synonyms: None
SMILES: O=C(C)NC1=CC=C2C(CCCC2)=C1[N+]([O-])=O
Tpsa: 72.24
Logp: 2.432
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₃
Molecular Weight:
234.25
Synonyms:
None
SMILES:
O=C(C)NC1=CC=C2C(CCCC2)=C1[N+]([O-])=O
Tpsa:
72.24
Logp:
2.432
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2