CS-0914528
N1-(5-chloropyridin-2-yl)-N2-((1R,2R,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide 4-methylbenzenesulfonate
Manufacturer: ChemScene
CAS Number: 2852734-46-2
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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
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight
720.26
Synonyms
None
SMILES
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa
191
Logp
2.53132
H Acceptors
10
H Donors
4
Rotatable Bonds
6
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: C₃₁H₃₈ClN₇O₇S₂
Molecular Weight: 720.26
Synonyms: None
SMILES: S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa: 191
Logp: 2.53132
H Acceptors: 10
H Donors: 4
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:
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight:
720.26
Synonyms:
None
SMILES:
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@@H](C(N(C)C)=O)C3
Tpsa:
191
Logp:
2.53132
H Acceptors:
10
H Donors:
4
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: C₃₁H₃₈ClN₇O₇S₂
Molecular Weight: 720.26
Synonyms: None
SMILES: S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa: 191
Logp: 2.53132
H Acceptors: 10
H Donors: 4
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:
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight:
720.26
Synonyms:
None
SMILES:
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@H]3[C@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa:
191
Logp:
2.53132
H Acceptors:
10
H Donors:
4
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: C₃₁H₃₈ClN₇O₇S₂
Molecular Weight: 720.26
Synonyms: None
SMILES: S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@@H]3[C@@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa: 191
Logp: 2.53132
H Acceptors: 10
H Donors: 4
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:
C₃₁H₃₈ClN₇O₇S₂
Molecular Weight:
720.26
Synonyms:
None
SMILES:
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C1=NC2=C(S1)CN(C)CC2)[C@@H]3[C@@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa:
191
Logp:
2.53132
H Acceptors:
10
H Donors:
4
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: C₂₁H₃₀ClN₅O₅
Molecular Weight: 467.95
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1[C@H](NC(C(NC2=CC=C(Cl)C=N2)=O)=O)CC[C@@H](C(N(C)C)=O)C1
Tpsa: 129.73
Logp: 1.9399
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₀ClN₅O₅
Molecular Weight:
467.95
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1[C@H](NC(C(NC2=CC=C(Cl)C=N2)=O)=O)CC[C@@H](C(N(C)C)=O)C1
Tpsa:
129.73
Logp:
1.9399
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
4