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TBPB

CAT: 0931-T1760-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T1760-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
634616-95-8
Target
AChR, Beta Amyloid
Related Pathways
Neuroscience
Purity
0.9997
Bioactivity
TBPB, an allosteric M1 mAChR agonist, is an [iso]propyl (2-{4-methoxy-3-[3- (4-methylpiperidin-1-yl) propoxy]phenyl}ethyl) carbamate exhibiting a molar mass of 430.6 g/mol.
Smiles
Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Molecular Formula
C25H32N4O
Molecular Weight
404.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tbpb
CAS Number634616-95-8
PubChem CID10092649
IUPAC Name3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC25H32N4O
Molecular Weight404.5
XLogP4.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity582
SMILES
CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
InChIKey
CWPKTBMRVATCBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tbpb
CAS: 634616-95-8
CID: 10092649
Formula: C25H32N4O
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass404.25761166
Monoisotopic Mass404.25761166
Topological Polar Surface Area38.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity582
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

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