CS-1001786
N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine 1-methylethyl ester
Manufacturer: ChemScene
CAS Number: 1610758-17-2
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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
C₂₈H₃₁N₇O₃
Molecular Weight
513.59
Synonyms
None
SMILES
O=C(OC(C)C)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4
Tpsa
139.22
Logp
3.85297
H Acceptors
8
H Donors
3
Rotatable Bonds
10
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: C₂₈H₃₁N₇O₃
Molecular Weight: 513.59
Synonyms: None
SMILES: O=C(OC(C)C)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4
Tpsa: 139.22
Logp: 3.85297
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₁N₇O₃
Molecular Weight:
513.59
Synonyms:
None
SMILES:
O=C(OC(C)C)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CNC3=CC=C(C=C3)C(=N)N)C1)C4=NC=CC=C4
Tpsa:
139.22
Logp:
3.85297
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀Cl₂
Molecular Weight: 189.08
Synonyms: None
SMILES: [C@H](CCCl)(Cl)C1=CC=CC=C1
Tpsa: 0
Logp: 3.5954
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀Cl₂
Molecular Weight:
189.08
Synonyms:
None
SMILES:
[C@H](CCCl)(Cl)C1=CC=CC=C1
Tpsa:
0
Logp:
3.5954
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃N₃O₅
Molecular Weight: 243.22
Synonyms: None
SMILES: O[C@@H]1[C@@H](O[C@@H](CO)[C@H]1O)N2C(=O)N=C(N)C=C2
Tpsa: 130.83
Logp: -2.563
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃N₃O₅
Molecular Weight:
243.22
Synonyms:
None
SMILES:
O[C@@H]1[C@@H](O[C@@H](CO)[C@H]1O)N2C(=O)N=C(N)C=C2
Tpsa:
130.83
Logp:
-2.563
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₇₄N₆O₁₆
Molecular Weight: 1039.17
Synonyms: None
SMILES: C(C1C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(CC2=CC=C(N(=O)=O)C=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O1)C3=CC=C(N(=O)=O)C=C3
Tpsa: 272.72
Logp: 5.4812
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₇₄N₆O₁₆
Molecular Weight:
1039.17
Synonyms:
None
SMILES:
C(C1C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(CC2=CC=C(N(=O)=O)C=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O1)C3=CC=C(N(=O)=O)C=C3
Tpsa:
272.72
Logp:
5.4812
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
14