CS-0011104
(R)-8-(3-Aminopiperidin-1-yl)-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-6,7-dihydro-1H-purin-2(3H)-one with (2S,3S)-2,3-dihydroxysuccinic acid 1:x
Manufacturer: ChemScene
CAS Number: None
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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
C₂₉H₃₆N₈O₇
Molecular Weight
608.65
Synonyms
None
SMILES
O[C@H](C(O)=O)[C@@H](C(O)=O)O.O=C1N(C)C2=C(N(CC#CC)C(N3C[C@H](N)CCC3)=N2)CN1CC4=NC(C)=C5C=CC=CC5=N4
Tpsa
211.47
Logp
0.53492
H Acceptors
11
H Donors
5
Rotatable Bonds
7
Other Options
...
SAFETY INFORMATION
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: C₂₉H₃₆N₈O₇
Molecular Weight: 608.65
Synonyms: None
SMILES: O[C@H](C(O)=O)[C@@H](C(O)=O)O.O=C1N(C)C2=C(N(CC#CC)C(N3C[C@H](N)CCC3)=N2)CN1CC4=NC(C)=C5C=CC=CC5=N4
Tpsa: 211.47
Logp: 0.53492
H Acceptors: 11
H Donors: 5
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:
C₂₉H₃₆N₈O₇
Molecular Weight:
608.65
Synonyms:
None
SMILES:
O[C@H](C(O)=O)[C@@H](C(O)=O)O.O=C1N(C)C2=C(N(CC#CC)C(N3C[C@H](N)CCC3)=N2)CN1CC4=NC(C)=C5C=CC=CC5=N4
Tpsa:
211.47
Logp:
0.53492
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
7
Purity: 97%,stabilized with MEHQ
MDL No: MFCD00009155
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆O₄
Molecular Weight: 200.23
Synonyms: NSC-8777; NSC8777; Propanedioic acid, 2-propenyl-, diethyl ester (9CI); Diethyl 2-allylmalonate; Diethyl 2-propenylmalonate; Diethyl allylmalonate; Ethyl allylmalonate; NSC 67393; diethyl prop-2-en-1-ylpropanedioate
SMILES: O=C(C(CC=C)C(OCC)=O)OCC
Tpsa: 52.6
Logp: 1.3049
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
97%,stabilized with MEHQ
MDL No:
MFCD00009155
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆O₄
Molecular Weight:
200.23
Synonyms:
NSC-8777; NSC8777; Propanedioic acid, 2-propenyl-, diethyl ester (9CI); Diethyl 2-allylmalonate; Diethyl 2-propenylmalonate; Diethyl allylmalonate; Ethyl allylmalonate; NSC 67393; diethyl prop-2-en-1-ylpropanedioate
SMILES:
O=C(C(CC=C)C(OCC)=O)OCC
Tpsa:
52.6
Logp:
1.3049
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O₂
Molecular Weight: 152.15
Synonyms: 4,6-Pyrimidinediol, 5-allyl- (8CI); 5-Allyl-6-hydroxy-3H-pyrimidin-4-one; 5-Allylpyrimidine-4,6-diol; 6-Hydroxy-5-(2-propen-1-yl)-4(1H)-pyrimidinone; 5-ALLYL-6-HYDROXYPYRIMIDIN-4(3H)-ONE
SMILES: OC1=C(CC=C)C(O)=NC=N1
Tpsa: 66.24
Logp: 0.6163
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₂O₂
Molecular Weight:
152.15
Synonyms:
4,6-Pyrimidinediol, 5-allyl- (8CI); 5-Allyl-6-hydroxy-3H-pyrimidin-4-one; 5-Allylpyrimidine-4,6-diol; 6-Hydroxy-5-(2-propen-1-yl)-4(1H)-pyrimidinone; 5-ALLYL-6-HYDROXYPYRIMIDIN-4(3H)-ONE
SMILES:
OC1=C(CC=C)C(O)=NC=N1
Tpsa:
66.24
Logp:
0.6163
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD02094394
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉NO₄
Molecular Weight: 265.31
Synonyms: N-Benzyloxycarbonyl-D-alloisoleucine
SMILES: CC[C@H](C)[C@@H](NC(OCC1=CC=CC=C1)=O)C(O)=O
Tpsa: 75.63
Logp: 2.4121
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD02094394
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₉NO₄
Molecular Weight:
265.31
Synonyms:
N-Benzyloxycarbonyl-D-alloisoleucine
SMILES:
CC[C@H](C)[C@@H](NC(OCC1=CC=CC=C1)=O)C(O)=O
Tpsa:
75.63
Logp:
2.4121
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6