CS-0040241
(3S,3'S,5S,5'S)-di-tert-butyl 5,5'-(((disulfanediylbis(ethane-2,1-diyl))bis(azanediyl))bis(carbonyl))bis(3-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)pyrrolidine-1-carboxylate)
Manufacturer: ChemScene
CAS Number: None
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Purity
97%
MDL No
None
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅₂H₇₄N₁₂O₆S₂
Molecular Weight
1027.35
Synonyms
None
SMILES
O=C(NCCSSCCNC([C@H]1N(C(OC(C)(C)C)=O)C[C@@H](N2CCN(C3=CC(C)=NN3C4=CC=CC=C4)CC2)C1)=O)[C@H]5N(C(OC(C)(C)C)=O)C[C@@H](N6CCN(C7=CC(C)=NN7C8=CC=CC=C8)CC6)C5
Tpsa
165.88
Logp
5.98884
H Acceptors
16
H Donors
2
Rotatable Bonds
15
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: 97%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₇₄N₁₂O₆S₂
Molecular Weight: 1027.35
Synonyms: None
SMILES: O=C(NCCSSCCNC([C@H]1N(C(OC(C)(C)C)=O)C[C@@H](N2CCN(C3=CC(C)=NN3C4=CC=CC=C4)CC2)C1)=O)[C@H]5N(C(OC(C)(C)C)=O)C[C@@H](N6CCN(C7=CC(C)=NN7C8=CC=CC=C8)CC6)C5
Tpsa: 165.88
Logp: 5.98884
H Acceptors: 16
H Donors: 2
Rotatable Bonds: 15
Purity:
97%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₇₄N₁₂O₆S₂
Molecular Weight:
1027.35
Synonyms:
None
SMILES:
O=C(NCCSSCCNC([C@H]1N(C(OC(C)(C)C)=O)C[C@@H](N2CCN(C3=CC(C)=NN3C4=CC=CC=C4)CC2)C1)=O)[C@H]5N(C(OC(C)(C)C)=O)C[C@@H](N6CCN(C7=CC(C)=NN7C8=CC=CC=C8)CC6)C5
Tpsa:
165.88
Logp:
5.98884
H Acceptors:
16
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: MFCD07375071
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆ClNO
Molecular Weight: 155.58
Synonyms: 1-(5-chloro-2-pyridinyl)ethanone
SMILES: CC(C1=NC=C(Cl)C=C1)=O
Tpsa: 29.96
Logp: 1.9376
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD07375071
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆ClNO
Molecular Weight:
155.58
Synonyms:
1-(5-chloro-2-pyridinyl)ethanone
SMILES:
CC(C1=NC=C(Cl)C=C1)=O
Tpsa:
29.96
Logp:
1.9376
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00017730
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₂O₄
Molecular Weight: 268.26
Synonyms: None
SMILES: O=C1C(O)=C(C2=CC=CC(OC)=C2)OC3=CC=CC=C13
Tpsa: 59.67
Logp: 3.1742
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00017730
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂O₄
Molecular Weight:
268.26
Synonyms:
None
SMILES:
O=C1C(O)=C(C2=CC=CC(OC)=C2)OC3=CC=CC=C13
Tpsa:
59.67
Logp:
3.1742
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD09036046
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₃N₃O₂
Molecular Weight: 137.10
Synonyms: None
SMILES: O=C(C1=NNC(C#N)=C1)O
Tpsa: 89.77
Logp: -0.02042
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD09036046
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₃N₃O₂
Molecular Weight:
137.10
Synonyms:
None
SMILES:
O=C(C1=NNC(C#N)=C1)O
Tpsa:
89.77
Logp:
-0.02042
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1