CS-0914215
tert-butyl (S)-(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)carbamate
Manufacturer: ChemScene
CAS Number: 668273-74-3
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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
C₃₀H₃₆N₈O₄
Molecular Weight
572.66
Synonyms
None
SMILES
C(C#CC)N1C2=C(N=C1N3C[C@@H](NC(OC(C)(C)C)=O)CCC3)N(C)C(=O)N(CC4=NC5=C(C(C)=N4)C=CC=C5)C2=O
Tpsa
129.17
Logp
2.71342
H Acceptors
11
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | (S)-Linagliptintert-ButylEster | Aaron Chemicals LLC | -- |
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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: C₃₀H₃₆N₈O₄
Molecular Weight: 572.66
Synonyms: None
SMILES: C(C#CC)N1C2=C(N=C1N3C[C@@H](NC(OC(C)(C)C)=O)CCC3)N(C)C(=O)N(CC4=NC5=C(C(C)=N4)C=CC=C5)C2=O
Tpsa: 129.17
Logp: 2.71342
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₃₆N₈O₄
Molecular Weight:
572.66
Synonyms:
None
SMILES:
C(C#CC)N1C2=C(N=C1N3C[C@@H](NC(OC(C)(C)C)=O)CCC3)N(C)C(=O)N(CC4=NC5=C(C(C)=N4)C=CC=C5)C2=O
Tpsa:
129.17
Logp:
2.71342
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
5
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](NCN[C@H]4CN(CCC4)C=5N(CC#CC)C6=C(N5)N(C)C(=O)N(CC7=NC8=C(C(C)=N7)C=CC=C8)C6=O)CCC3)N(C)C(=O)N(CC9=NC%10=C(C(C)=N9)C=CC=C%10)C2=O
Tpsa: 205.74
Logp: 2.52774
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](NCN[C@H]4CN(CCC4)C=5N(CC#CC)C6=C(N5)N(C)C(=O)N(CC7=NC8=C(C(C)=N7)C=CC=C8)C6=O)CCC3)N(C)C(=O)N(CC9=NC%10=C(C(C)=N9)C=CC=C%10)C2=O
Tpsa:
205.74
Logp:
2.52774
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: C₂₀H₁₇BrN₆O₂
Molecular Weight: 453.29
Synonyms: None
SMILES: O=C1N=C(OCC=2N=C3C=CC=CC3=C(N2)C)N(C=4N=C(Br)N(C14)CC#CC)C
Tpsa: 87.72
Logp: 2.74642
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₇BrN₆O₂
Molecular Weight:
453.29
Synonyms:
None
SMILES:
O=C1N=C(OCC=2N=C3C=CC=CC3=C(N2)C)N(C=4N=C(Br)N(C14)CC#CC)C
Tpsa:
87.72
Logp:
2.74642
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₉ClN₈O₂
Molecular Weight: 509.00
Synonyms: None
SMILES: O=C1C2=C(N=C(N2CC=C(Cl)C)N3CCCC(N)C3)N(C(=O)N1CC4=NC=5C=CC=CC5C(=N4)C)C
Tpsa: 116.86
Logp: 2.26672
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₉ClN₈O₂
Molecular Weight:
509.00
Synonyms:
None
SMILES:
O=C1C2=C(N=C(N2CC=C(Cl)C)N3CCCC(N)C3)N(C(=O)N1CC4=NC=5C=CC=CC5C(=N4)C)C
Tpsa:
116.86
Logp:
2.26672
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
5