CS-1002858
1-(2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl)-2-((pyridin-4-ylmethyl)thio)ethan-1-one
Manufacturer: ChemScene
CAS Number: 2249541-77-1
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₂₄N₄OS
Molecular Weight
392.52
Synonyms
None
SMILES
O=C(N1CCCCC1C2=NC=C(N2)C=3C=CC=CC3)CSCC=4C=CN=CC4
Tpsa
61.88
Logp
4.4587
H Acceptors
4
H Donors
1
Rotatable Bonds
6
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₄N₄OS
Molecular Weight: 392.52
Synonyms: None
SMILES: O=C(N1CCCCC1C2=NC=C(N2)C=3C=CC=CC3)CSCC=4C=CN=CC4
Tpsa: 61.88
Logp: 4.4587
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₄N₄OS
Molecular Weight:
392.52
Synonyms:
None
SMILES:
O=C(N1CCCCC1C2=NC=C(N2)C=3C=CC=CC3)CSCC=4C=CN=CC4
Tpsa:
61.88
Logp:
4.4587
H Acceptors:
4
H Donors:
1
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: C₂₆H₂₇Br₂N₃
Molecular Weight: 541.32
Synonyms: None
SMILES: N#CC(C=1C=C(C=C(C1)CC(C#N)(C=2C=C(C=C(C2)C(C#N)(C)C)CBr)C)CBr)(C)C
Tpsa: 71.37
Logp: 7.10274
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₇Br₂N₃
Molecular Weight:
541.32
Synonyms:
None
SMILES:
N#CC(C=1C=C(C=C(C1)CC(C#N)(C=2C=C(C=C(C2)C(C#N)(C)C)CBr)C)CBr)(C)C
Tpsa:
71.37
Logp:
7.10274
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈IN₅O₅
Molecular Weight: 487.25
Synonyms: None
SMILES: [I-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa: 127.34
Logp: -3.2588
H Acceptors: 6
H Donors: 2
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:
C₁₆H₁₈IN₅O₅
Molecular Weight:
487.25
Synonyms:
None
SMILES:
[I-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa:
127.34
Logp:
-3.2588
H Acceptors:
6
H Donors:
2
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: C₁₆H₁₈BrN₅O₅
Molecular Weight: 440.25
Synonyms: None
SMILES: [Br-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa: 127.34
Logp: -3.2588
H Acceptors: 6
H Donors: 2
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:
C₁₆H₁₈BrN₅O₅
Molecular Weight:
440.25
Synonyms:
None
SMILES:
[Br-].O=C(NCC[N+]=1C=CC=C(C1)C(=O)NCCON(=O)=O)C=2C=NC=CC2
Tpsa:
127.34
Logp:
-3.2588
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
9