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

CAT: 0931-T17300-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17300-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2244989-34-0
Target
AChR
Related Pathways
Neuroscience
Purity
0.9952
Bioactivity
(-) - (S) -B-973B is an effective allosteric agonist and positive allosteric modulator of α7 nAChR.
Smiles
C[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1cncc(n1)N1CCN(CC1)c1ccccn1
Molecular Formula
C24H26F2N6O
Molecular Weight
452.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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6764/50B 973B
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A18761-5(-) - (S) -B-973B 5mg
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A18761-1(-) - (S) -B-973B 1mg
A18761-100(-) - (S) -B-973B 100mg
A18761-50(-) - (S) -B-973B 50mg
A18761-25(-) - (S) -B-973B 25mg

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