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BMS-354326

CAT: 0013-GTR19195348-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195348-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-354326 is a small molecule compound utilized in biochemical research. It serves as a potent and selective inhibitor of phosphodiesterase type 4 (PDE4), making it a valuable tool for investigating inflammatory pathways and related diseases in both cellular and animal models.
CAS Number
708258-16-6
Smiles
C (=O) (N1[C@H] (C (O) =O) [C@@H] (CCC2CCCNC2) C1=O) N3CCN (C (CCCCCC4=CC=CC=C4) =O) CC3
Molecular Formula
C28H40N4O5
Molecular Weight
512.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Azetidinecarboxylic acid, 4-oxo-1-((4-(1-oxo-6-phenylhexyl)-1-piperazinyl)carbonyl)-3-(2-(3-piperidinyl)ethyl)-, (2S,3R)-
CAS Number708258-16-6
PubChem CID10391699
IUPAC Name(2S,3R)-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]-3-(2-piperidin-3-ylethyl)azetidine-2-carboxylic acid
Molecular FormulaC28H40N4O5
Molecular Weight512.6
XLogP0.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity806
SMILES
C1CC(CNC1)CC[C@@H]2[C@H](N(C2=O)C(=O)N3CCN(CC3)C(=O)CCCCCC4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C28H40N4O5/c33-24(12-6-2-5-10-21-8-3-1-4-9-21)30-16-18-31(19-17-30)28(37)32-25(27(35)36)23(26(32)34)14-13-22-11-7-15-29-20-22/h1,3-4,8-9,22-23,25,29H,2,5-7,10-20H2,(H,35,36)/t22?,23-,25+/m1/s1
InChIKey
XVYFBYVSZOCXRJ-OMQKAAQBSA-N
Chemical Structure
2D Structure
2D structure of 2-Azetidinecarboxylic acid, 4-oxo-1-((4-(1-oxo-6-phenylhexyl)-1-piperazinyl)carbonyl)-3-(2-(3-piperidinyl)ethyl)-, (2S,3R)-
CAS: 708258-16-6
CID: 10391699
Formula: C28H40N4O5
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass512.29987039
Monoisotopic Mass512.29987039
Topological Polar Surface Area110 Ų
Heavy Atom Count37
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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