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(-) - (S) -B-973B

CAT: 0013-GTR19177837-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177837-02Size:2 mg
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Description
(-) - (S) -B-973B
CAS Number
2244989-34-0
Product Name Alternative
B-973B, () (S) B973B, () (S) B 973B, inhibit, nAChR, Nicotinic acetylcholine receptors, Inhibitor, α7 nAChR
Field of Research
Neuroscience
Purity
99.52% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.42 mM) ; DMSO:65 mg/mL (143.65 mM)
Smiles
C[C@H] (NC (=O) CCc1ccc (F) c (F) c1) c1cncc (n1) N1CCN (CC1) c1ccccn1
Molecular Formula
C24H26F2N6O
Molecular Weight
452.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,4-Difluoro-N-[(1S)-1-[6-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrazinyl]ethyl]benzenepropanamide
CAS Number2244989-34-0
PubChem CID137319851
IUPAC Name3-(3,4-difluorophenyl)-N-[(1S)-1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]ethyl]propanamide
Molecular FormulaC24H26F2N6O
Molecular Weight452.5
XLogP2.7
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity620
SMILES
C[C@@H](C1=CN=CC(=N1)N2CCN(CC2)C3=CC=CC=N3)NC(=O)CCC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C24H26F2N6O/c1-17(29-24(33)8-6-18-5-7-19(25)20(26)14-18)21-15-27-16-23(30-21)32-12-10-31(11-13-32)22-4-2-3-9-28-22/h2-5,7,9,14-17H,6,8,10-13H2,1H3,(H,29,33)/t17-/m0/s1
InChIKey
WQYZERNSONBUCW-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluoro-N-[(1S)-1-[6-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrazinyl]ethyl]benzenepropanamide
CAS: 2244989-34-0
CID: 137319851
Formula: C24H26F2N6O
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass452.21361580
Monoisotopic Mass452.21361580
Topological Polar Surface Area74.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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