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A-286982

CAT: 0931-T21781-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T21781-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
280749-17-9
Target
Integrin
Related Pathways
Cytoskeletal Signaling
Purity
0.9781
Bioactivity
A 286982 is an inhibitor that blocks the integrin-ligand interaction between leukocyte function-associated antigen-1 (LFA-1) and intercellular adhesion molecule-1.
Smiles
CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Molecular Formula
C24H27N3O4S
Molecular Weight
453.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-286982

inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source

CAS Number280749-17-9
PubChem CID9846729
IUPAC Name(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one
Molecular FormulaC24H27N3O4S
Molecular Weight453.6
XLogP4.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity700
SMILES
CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
InChIKey
HTGGAYLWTDOFDK-PKNBQFBNSA-N
Chemical Structure
2D Structure
2D structure of A-286982
CAS: 280749-17-9
CID: 9846729
Formula: C24H27N3O4S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass453.17222752
Monoisotopic Mass453.17222752
Topological Polar Surface Area112 Ų
Heavy Atom Count32
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3842186-01A 286982
BUP02614-01A-286982
A17211-10A 286982 10mg
A17211-50A 286982 50mg
A17211-25A 286982 25mg
A17211-5A 286982 5mg
A17211-100A 286982 100mg
A17211-2A 286982 2mg
A17211-1A 286982 1mg
A17211-10mM-DA 286982 10mM * 1mL in DMSO

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