CS-0914475
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzamide
Manufacturer: ChemScene
CAS Number: 2169285-79-2
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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
C₃₃H₃₆ClN₅O₂
Molecular Weight
570.12
Synonyms
None
SMILES
O=C(N)C1=CC=C(C=C1OC=2C=NC=3NC=CC3C2)N4CCN(CC5=C(C=6C=CC(Cl)=CC6)CC(C)(C)CC5)CC4
Tpsa
87.48
Logp
6.8934
H Acceptors
5
H Donors
2
Rotatable Bonds
7
Related Products
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₆ClN₅O₂
Molecular Weight: 570.12
Synonyms: None
SMILES: O=C(N)C1=CC=C(C=C1OC=2C=NC=3NC=CC3C2)N4CCN(CC5=C(C=6C=CC(Cl)=CC6)CC(C)(C)CC5)CC4
Tpsa: 87.48
Logp: 6.8934
H Acceptors: 5
H Donors: 2
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:
C₃₃H₃₆ClN₅O₂
Molecular Weight:
570.12
Synonyms:
None
SMILES:
O=C(N)C1=CC=C(C=C1OC=2C=NC=3NC=CC3C2)N4CCN(CC5=C(C=6C=CC(Cl)=CC6)CC(C)(C)CC5)CC4
Tpsa:
87.48
Logp:
6.8934
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆FN₃O₂S
Molecular Weight: 345.39
Synonyms: None
SMILES: O=S(=O)(C1=NC=CC=C1)N2C=C(C=C2C=3C=CC=CC3F)CNC
Tpsa: 63.99
Logp: 2.6456
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₆FN₃O₂S
Molecular Weight:
345.39
Synonyms:
None
SMILES:
O=S(=O)(C1=NC=CC=C1)N2C=C(C=C2C=3C=CC=CC3F)CNC
Tpsa:
63.99
Logp:
2.6456
H Acceptors:
5
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: C₂₁H₁₉ClFN₃O₆S
Molecular Weight: 495.91
Synonyms: None
SMILES: C(=C/C(O)=O)\C(O)=O.S(=O)(=O)(N1C(=CC(CNC)=C1Cl)C2=C(F)C=CC=C2)C=3C=CC=NC3
Tpsa: 138.59
Logp: 3.0108
H Acceptors: 7
H Donors: 3
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:
C₂₁H₁₉ClFN₃O₆S
Molecular Weight:
495.91
Synonyms:
None
SMILES:
C(=C/C(O)=O)\C(O)=O.S(=O)(=O)(N1C(=CC(CNC)=C1Cl)C2=C(F)C=CC=C2)C=3C=CC=NC3
Tpsa:
138.59
Logp:
3.0108
H Acceptors:
7
H Donors:
3
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: C₃₄H₃₉N₅O₇S
Molecular Weight: 661.77
Synonyms: None
SMILES: S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa: 141
Logp: 5.58212
H Acceptors: 10
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:
C₃₄H₃₉N₅O₇S
Molecular Weight:
661.77
Synonyms:
None
SMILES:
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa:
141
Logp:
5.58212
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
9