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TLX agonist 1

CAT: 0607-A9035-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A9035-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
958323-31-4
Product Name Alternative
(4-benzhydrylpiperazin-1-yl)(1,5-dimethyl-1H-pyrazol-3-yl)methanone
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C(N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NN(C)C(C)=C4
Molecular Formula
C23H26N4O
Molecular Weight
374.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

TLX agonist 1
CAS Number958323-31-4
PubChem CID2738508
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
Molecular FormulaC23H26N4O
Molecular Weight374.5
XLogP3.4
Topological Polar Surface Area41.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity489
SMILES
CC1=CC(=NN1C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3
InChIKey
SSGJAUSSGPIZEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TLX agonist 1
CAS: 958323-31-4
CID: 2738508
Formula: C23H26N4O
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass374.21066147
Monoisotopic Mass374.21066147
Topological Polar Surface Area41.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity489
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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