CS-0017465
4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
Manufacturer: ChemScene
CAS Number: 1253955-17-7
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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
C₃₃H₃₅N₃O₅
Molecular Weight
553.65
Synonyms
Benzoic acid, 2,4-dimethyl-, [4-[1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
SMILES
O=C(OCC1=CC=C(C(CNC(OC(C)(C)C)=O)C(NC2=CC3=C(C=NC=C3)C=C2)=O)C=C1)C4=CC=C(C)C=C4C
Tpsa
106.62
Logp
6.45564
H Acceptors
6
H Donors
2
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1253955-17-7 | 4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate | A2B Chem | -- |
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: C₃₃H₃₅N₃O₅
Molecular Weight: 553.65
Synonyms: Benzoic acid, 2,4-dimethyl-, [4-[1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
SMILES: O=C(OCC1=CC=C(C(CNC(OC(C)(C)C)=O)C(NC2=CC3=C(C=NC=C3)C=C2)=O)C=C1)C4=CC=C(C)C=C4C
Tpsa: 106.62
Logp: 6.45564
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅N₃O₅
Molecular Weight:
553.65
Synonyms:
Benzoic acid, 2,4-dimethyl-, [4-[1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-(6-isoquinolinylamino)-2-oxoethyl]phenyl]methyl ester
SMILES:
O=C(OCC1=CC=C(C(CNC(OC(C)(C)C)=O)C(NC2=CC3=C(C=NC=C3)C=C2)=O)C=C1)C4=CC=C(C)C=C4C
Tpsa:
106.62
Logp:
6.45564
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD28411622
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂OS
Molecular Weight: 260.35
Synonyms: None
SMILES: CCC1=CC=C(/C=C/C(NC2=NCCS2)=O)C=C1
Tpsa: 41.46
Logp: 2.4812
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28411622
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂OS
Molecular Weight:
260.35
Synonyms:
None
SMILES:
CCC1=CC=C(/C=C/C(NC2=NCCS2)=O)C=C1
Tpsa:
41.46
Logp:
2.4812
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00866843
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₂N₂O₂
Molecular Weight: 380.52
Synonyms: None
SMILES: O=C(C1=CC=CC=C1)C(C)CN2CCN(CC(OCC)C3=CC=CC=C3)CC2
Tpsa: 32.78
Logp: 3.9008
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
MFCD00866843
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₂N₂O₂
Molecular Weight:
380.52
Synonyms:
None
SMILES:
O=C(C1=CC=CC=C1)C(C)CN2CCN(CC(OCC)C3=CC=CC=C3)CC2
Tpsa:
32.78
Logp:
3.9008
H Acceptors:
4
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: C₁₃H₂₀N₂O₃S
Molecular Weight: 284.37
Synonyms: W-2900A
SMILES: O=C(OCC)/C=C(N1C)/SC(N2CCCCC2)C1=O
Tpsa: 49.85
Logp: 1.4081
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀N₂O₃S
Molecular Weight:
284.37
Synonyms:
W-2900A
SMILES:
O=C(OCC)/C=C(N1C)/SC(N2CCCCC2)C1=O
Tpsa:
49.85
Logp:
1.4081
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3