CS-M3717
4-[[[4-(2,6-Dichlorobenzoylamino)-1H-pyrazol-3-yl]carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester
Manufacturer: ChemScene
CAS Number: 844443-90-9
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₅Cl₂N₅O₄
Molecular Weight
482.36
Synonyms
YPSOVQYHIDHKDO-UHFFFAOYSA-N
SMILES
O=C(C(C(Cl)=CC=C1)=C1Cl)NC2=CNN=C2C(NC3CCN(CC3)C(OC(C)(C)C)=O)=O
Tpsa
116.42
Logp
4.0981
H Acceptors
5
H Donors
3
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 844443-90-9 | 4-[[[4-(2,6-Dichlorobenzoylamino)-1H-pyrazol-3-yl]carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester | A2B Chem | -- |
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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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₅Cl₂N₅O₄
Molecular Weight: 482.36
Synonyms: YPSOVQYHIDHKDO-UHFFFAOYSA-N
SMILES: O=C(C(C(Cl)=CC=C1)=C1Cl)NC2=CNN=C2C(NC3CCN(CC3)C(OC(C)(C)C)=O)=O
Tpsa: 116.42
Logp: 4.0981
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅Cl₂N₅O₄
Molecular Weight:
482.36
Synonyms:
YPSOVQYHIDHKDO-UHFFFAOYSA-N
SMILES:
O=C(C(C(Cl)=CC=C1)=C1Cl)NC2=CNN=C2C(NC3CCN(CC3)C(OC(C)(C)C)=O)=O
Tpsa:
116.42
Logp:
4.0981
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD28502389
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂O₄
Molecular Weight: 276.29
Synonyms: (2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid; trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
SMILES: O=C1N(OCC2=CC=CC=C2)[C@@H]3CC[C@@H](C(O)=O)[N@]1C3
Tpsa: 70.08
Logp: 1.4714
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD28502389
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O₄
Molecular Weight:
276.29
Synonyms:
(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid; trans-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
SMILES:
O=C1N(OCC2=CC=CC=C2)[C@@H]3CC[C@@H](C(O)=O)[N@]1C3
Tpsa:
70.08
Logp:
1.4714
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₉N₃O₇
Molecular Weight: 693.91
Synonyms: Fmoc-MeVal-Val-Dil-OtBu
SMILES: CC[C@H](C)[C@@H]([C@@H](CC(OC(C)(C)C)=O)OC)N(C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C3=C1C=CC=C3)=O)C)=O)=O)C
Tpsa: 114.48
Logp: 6.6526
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₉N₃O₇
Molecular Weight:
693.91
Synonyms:
Fmoc-MeVal-Val-Dil-OtBu
SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(OC(C)(C)C)=O)OC)N(C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C3=C1C=CC=C3)=O)C)=O)=O)C
Tpsa:
114.48
Logp:
6.6526
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
15
Purity: 95%
MDL No: MFCD31567538
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₇NO₄
Molecular Weight: 321.41
Synonyms: tert-Butyl 6-(((benzyloxy)carbonyl)amino)hexanoate
SMILES: O=C(CCCCCNC(OCC1=CC=CC=C1)=O)OC(C)(C)C
Tpsa: 64.63
Logp: 3.8149
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 8
Purity:
95%
MDL No:
MFCD31567538
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₇NO₄
Molecular Weight:
321.41
Synonyms:
tert-Butyl 6-(((benzyloxy)carbonyl)amino)hexanoate
SMILES:
O=C(CCCCCNC(OCC1=CC=CC=C1)=O)OC(C)(C)C
Tpsa:
64.63
Logp:
3.8149
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
8