Products for Research Use Only
RegisterLogin

A-867744

CAT: 0931-TQ0117-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TQ0117-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1000279-69-5
Target
Autophagy, AChR
Related Pathways
Neuroscience, Autophagy
Purity
0.9566
Bioactivity
A-867744 is an effective and selective type II positive allosteric modulator of the α7 nAChR (EC50: 1.0 μM) .
Smiles
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
Molecular Formula
C20H19ClN2O3S
Molecular Weight
402.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-867744
CAS Number1000279-69-5
PubChem CID23642319
IUPAC Name4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.9
XLogP3.7
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity620
SMILES
CCC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
InChIKey
ABACVOXFUHDKNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-867744
CAS: 1000279-69-5
CID: 23642319
Formula: C20H19ClN2O3S
MW: 402.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass402.0804913
Monoisotopic Mass402.0804913
Topological Polar Surface Area90.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3138-10A-867744
440620-01A 867744
A11290-100A-867744 100mg
A11290-10A-867744 10mg
A11290-5A-867744 5mg
A11290-2A-867744 2mg
A11290-50A-867744 50mg
A11290-25A-867744 25mg
A11290-10mM-DA-867744 10mM * 1mL in DMSO

Popular Products