CS-0018342
(2S)-N-(1-(2-Chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
Manufacturer: ChemScene
CAS Number: 2331111-68-1
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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
C₂₂H₂₀ClF₃N₄O₃
Molecular Weight
480.87
Synonyms
None
SMILES
FC1(F)CC(NC(C(C2=CC=CC=C2Cl)N(C3=CC(F)=CN=C3)C([C@@H](N4)CCC4=O)=O)=O)C1
Tpsa
91.4
Logp
3.1409
H Acceptors
4
H Donors
2
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2331111-68-1 | (2S)-N-(1-(2-Chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide | 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: C₂₂H₂₀ClF₃N₄O₃
Molecular Weight: 480.87
Synonyms: None
SMILES: FC1(F)CC(NC(C(C2=CC=CC=C2Cl)N(C3=CC(F)=CN=C3)C([C@@H](N4)CCC4=O)=O)=O)C1
Tpsa: 91.4
Logp: 3.1409
H Acceptors: 4
H Donors: 2
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:
C₂₂H₂₀ClF₃N₄O₃
Molecular Weight:
480.87
Synonyms:
None
SMILES:
FC1(F)CC(NC(C(C2=CC=CC=C2Cl)N(C3=CC(F)=CN=C3)C([C@@H](N4)CCC4=O)=O)=O)C1
Tpsa:
91.4
Logp:
3.1409
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: MFCD10698129
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₀N₂O₄
Molecular Weight: 232.28
Synonyms: [(R)-1-(N-Methoxy-N-methyl-carbamoyl)-ethyl]-carbamic acid tert-butyl ester; (R)-tert-butyl 1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
SMILES: CN(C([C@](C)([H])NC(OC(C)(C)C)=O)=O)OC
Tpsa: 67.87
Logp: 0.9194
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD10698129
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₂₀N₂O₄
Molecular Weight:
232.28
Synonyms:
[(R)-1-(N-Methoxy-N-methyl-carbamoyl)-ethyl]-carbamic acid tert-butyl ester; (R)-tert-butyl 1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate
SMILES:
CN(C([C@](C)([H])NC(OC(C)(C)C)=O)=O)OC
Tpsa:
67.87
Logp:
0.9194
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD30747978
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₅ClN₆O₂
Molecular Weight: 500.98
Synonyms: 8-chloro-2-phenyl-3-(1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
SMILES: ClC1=C(C2=O)C(C=C([C@@H](NC3=NC=NC4=C3N=CN4C5OCCCC5)C)N2C6=CC=CC=C6)=CC=C1
Tpsa: 86.86
Logp: 5.656
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 5
Purity:
97%
MDL No:
MFCD30747978
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₅ClN₆O₂
Molecular Weight:
500.98
Synonyms:
8-chloro-2-phenyl-3-(1-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
SMILES:
ClC1=C(C2=O)C(C=C([C@@H](NC3=NC=NC4=C3N=CN4C5OCCCC5)C)N2C6=CC=CC=C6)=CC=C1
Tpsa:
86.86
Logp:
5.656
H Acceptors:
8
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: C₂₇H₂₅ClN₆O₂
Molecular Weight: 500.98
Synonyms: None
SMILES: ClC1=C(C2=O)C(C=C([C@H](NC3=NC=NC4=C3N=CN4C5OCCCC5)C)N2C6=CC=CC=C6)=CC=C1
Tpsa: 86.86
Logp: 5.656
H Acceptors: 8
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:
C₂₇H₂₅ClN₆O₂
Molecular Weight:
500.98
Synonyms:
None
SMILES:
ClC1=C(C2=O)C(C=C([C@H](NC3=NC=NC4=C3N=CN4C5OCCCC5)C)N2C6=CC=CC=C6)=CC=C1
Tpsa:
86.86
Logp:
5.656
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
5