CS-0864189
BACE1 485-501
Manufacturer: ChemScene
CAS Number: 300584-87-6
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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
C₈₆H₁₃₇N₂₅O₂₉S
Molecular Weight
2017.22
Synonyms
None
SMILES
SC[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)=O
Tpsa
901.13
Logp
-8.68793
H Acceptors
29
H Donors
31
Rotatable Bonds
69
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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: C₈₆H₁₃₇N₂₅O₂₉S
Molecular Weight: 2017.22
Synonyms: None
SMILES: SC[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)=O
Tpsa: 901.13
Logp: -8.68793
H Acceptors: 29
H Donors: 31
Rotatable Bonds: 69
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₆H₁₃₇N₂₅O₂₉S
Molecular Weight:
2017.22
Synonyms:
None
SMILES:
SC[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CO)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)CC2=CN=CN2)=O)=O)=O)=O)=O
Tpsa:
901.13
Logp:
-8.68793
H Acceptors:
29
H Donors:
31
Rotatable Bonds:
69
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrN₃
Molecular Weight: 266.14
Synonyms: None
SMILES: BrC1=CN=C2C=C(C3CNCC3)C=CN12
Tpsa: 29.33
Logp: 2.1737
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrN₃
Molecular Weight:
266.14
Synonyms:
None
SMILES:
BrC1=CN=C2C=C(C3CNCC3)C=CN12
Tpsa:
29.33
Logp:
2.1737
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrN₃
Molecular Weight: 266.14
Synonyms: None
SMILES: BrC1=CN=C2C=CC(C3CNCC3)=CN12
Tpsa: 29.33
Logp: 2.1737
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrN₃
Molecular Weight:
266.14
Synonyms:
None
SMILES:
BrC1=CN=C2C=CC(C3CNCC3)=CN12
Tpsa:
29.33
Logp:
2.1737
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrN₃
Molecular Weight: 266.14
Synonyms: None
SMILES: BrC1=CN=C2C(C3NCCC3)=CC=CN12
Tpsa: 29.33
Logp: 2.5213
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrN₃
Molecular Weight:
266.14
Synonyms:
None
SMILES:
BrC1=CN=C2C(C3NCCC3)=CC=CN12
Tpsa:
29.33
Logp:
2.5213
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1