CS-0914219
8-((R)-3-aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-1-((4-(2-(((R)-1-(7- (but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6- dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)amino)ethyl) quinazolin-2-yl)methyl)-3-methyl-3,7-dihydro-1H-purine-2,6- dione formate
Manufacturer: ChemScene
CAS Number: 2463617-49-2
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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
C₅₁H₅₆N₁₆O₄
Molecular Weight
957.10
Synonyms
None
SMILES
C(C#CC)N1C2=C(N=C1N3C[C@H](NCCC=4C5=C(N=C(CN6C(=O)C=7N(CC#CC)C(=NC7N(C)C6=O)N8C[C@H](N)CCC8)N4)C=CC=C5)CCC3)N(C)C(=O)N(CC9=NC%10=C(C(C)=N9)C=CC=C%10)C2=O
Tpsa
219.73
Logp
2.17342
H Acceptors
20
H Donors
2
Rotatable Bonds
12
Other Options
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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: C₅₁H₅₆N₁₆O₄
Molecular Weight: 957.10
Synonyms: None
SMILES: C(C#CC)N1C2=C(N=C1N3C[C@H](NCCC=4C5=C(N=C(CN6C(=O)C=7N(CC#CC)C(=NC7N(C)C6=O)N8C[C@H](N)CCC8)N4)C=CC=C5)CCC3)N(C)C(=O)N(CC9=NC%10=C(C(C)=N9)C=CC=C%10)C2=O
Tpsa: 219.73
Logp: 2.17342
H Acceptors: 20
H Donors: 2
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:
C₅₁H₅₆N₁₆O₄
Molecular Weight:
957.10
Synonyms:
None
SMILES:
C(C#CC)N1C2=C(N=C1N3C[C@H](NCCC=4C5=C(N=C(CN6C(=O)C=7N(CC#CC)C(=NC7N(C)C6=O)N8C[C@H](N)CCC8)N4)C=CC=C5)CCC3)N(C)C(=O)N(CC9=NC%10=C(C(C)=N9)C=CC=C%10)C2=O
Tpsa:
219.73
Logp:
2.17342
H Acceptors:
20
H Donors:
2
Rotatable Bonds:
12
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅ClN₂O₂
Molecular Weight: 230.69
Synonyms: None
SMILES: C(NC([C@@H](CO)N)=O)C1=CC=CC=C1.Cl
Tpsa: 75.35
Logp: 0.0442
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅ClN₂O₂
Molecular Weight:
230.69
Synonyms:
None
SMILES:
C(NC([C@@H](CO)N)=O)C1=CC=CC=C1.Cl
Tpsa:
75.35
Logp:
0.0442
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₅N₅O
Molecular Weight: 257.29
Synonyms: None
SMILES: N=1C=NC(C=2C=NN(C2)C(OCC)C)=C3C=CNC13
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:
C₁₃H₁₅N₅O
Molecular Weight:
257.29
Synonyms:
None
SMILES:
N=1C=NC(C=2C=NN(C2)C(OCC)C)=C3C=CNC13
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: C₃₅H₃₉N₃O₆
Molecular Weight: 597.70
Synonyms: None
SMILES: O=C(O)C1=C(NC(=C(C(=O)OC(C)(C)CN(C)CCC(C=2C=CC=CC2)C=3C=CC=CC3)C1C=4C=CC=C(C4)N(=O)=O)C)C
Tpsa: 122.01
Logp: 6.39
H Acceptors: 7
H Donors: 2
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:
C₃₅H₃₉N₃O₆
Molecular Weight:
597.70
Synonyms:
None
SMILES:
O=C(O)C1=C(NC(=C(C(=O)OC(C)(C)CN(C)CCC(C=2C=CC=CC2)C=3C=CC=CC3)C1C=4C=CC=C(C4)N(=O)=O)C)C
Tpsa:
122.01
Logp:
6.39
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
12