CS-0674652
3-Amino-5-((1-((1-(2,4-dichlorophenyl)pyrrolidin-3-yl)amino)-1-oxopropan-2-yl)thio)isothiazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C, protect from light, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₇H₁₈Cl₂N₄O₃S₂
Molecular Weight
461.39
Synonyms
None
SMILES
CC(C(NC1CCN(C1)C2=C(Cl)C=C(Cl)C=C2)=O)SC3=C(C(O)=O)C(N)=NS3
Tpsa
108.55
Logp
3.606
H Acceptors
7
H Donors
3
Rotatable Bonds
6
Other Options
...
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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: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₈Cl₂N₄O₃S₂
Molecular Weight: 461.39
Synonyms: None
SMILES: CC(C(NC1CCN(C1)C2=C(Cl)C=C(Cl)C=C2)=O)SC3=C(C(O)=O)C(N)=NS3
Tpsa: 108.55
Logp: 3.606
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₈Cl₂N₄O₃S₂
Molecular Weight:
461.39
Synonyms:
None
SMILES:
CC(C(NC1CCN(C1)C2=C(Cl)C=C(Cl)C=C2)=O)SC3=C(C(O)=O)C(N)=NS3
Tpsa:
108.55
Logp:
3.606
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₅Cl₂N₃O₄
Molecular Weight: 396.22
Synonyms: None
SMILES: O=C(C1=CC=C(C(C(O)=O)=N1)O)N[C@H]2CCN(C2)C3=CC=C(C=C3Cl)Cl
Tpsa: 102.76
Logp: 2.8009
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₅Cl₂N₃O₄
Molecular Weight:
396.22
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(C(O)=O)=N1)O)N[C@H]2CCN(C2)C3=CC=C(C=C3Cl)Cl
Tpsa:
102.76
Logp:
2.8009
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇BrN₂S
Molecular Weight: 243.12
Synonyms: None
SMILES: NC1=CC=C(SC(C)=N2)C2=C1Br
Tpsa: 38.91
Logp: 2.94942
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇BrN₂S
Molecular Weight:
243.12
Synonyms:
None
SMILES:
NC1=CC=C(SC(C)=N2)C2=C1Br
Tpsa:
38.91
Logp:
2.94942
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃Cl₃N₄O₃
Molecular Weight: 415.66
Synonyms: None
SMILES: O=C(C1=NC(C(NC2CCN(C2)C3=C(Cl)C=C(Cl)C=C3)=O)=C(Cl)C=N1)O
Tpsa: 95.42
Logp: 3.1437
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃Cl₃N₄O₃
Molecular Weight:
415.66
Synonyms:
None
SMILES:
O=C(C1=NC(C(NC2CCN(C2)C3=C(Cl)C=C(Cl)C=C3)=O)=C(Cl)C=N1)O
Tpsa:
95.42
Logp:
3.1437
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4