Products for Research Use Only

LB-102

CAT: 0013-GTR19239885-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239885-01Size:25 mg
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Description
LB-102 is an orally bioavailable small molecule antagonist of dopamine D2, D3, and serotonin 5-HT7 receptors. It is used in preclinical research to investigate the neurobiology of schizophrenia and related psychiatric disorders, supporting both in vitro binding assays and in vivo behavioral studies.
CAS Number
2227154-23-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (NCC1N (CC) CCC1) C=2C=C (C (=CC2OC) NC) S (=O) (=O) CC
Molecular Formula
C18H29N3O4S
Molecular Weight
383.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lb-102

LB-102 is under investigation in clinical trial NCT06179108 (Randomized, Double-blinded, Placebo-controlled, Evaluating the Treatment With LB-102 in Patients With Acute Schizophrenia).

CAS Number2227154-23-4
PubChem CID134542980
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-(methylamino)benzamide
Molecular FormulaC18H29N3O4S
Molecular Weight383.5
XLogP2.1
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity563
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)NC)S(=O)(=O)CC
InChI
InChI=1S/C18H29N3O4S/c1-5-21-9-7-8-13(21)12-20-18(22)14-10-17(26(23,24)6-2)15(19-3)11-16(14)25-4/h10-11,13,19H,5-9,12H2,1-4H3,(H,20,22)
InChIKey
NXKXZXNNWRYXRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lb-102
CAS: 2227154-23-4
CID: 134542980
Formula: C18H29N3O4S
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass383.18787759
Monoisotopic Mass383.18787759
Topological Polar Surface Area96.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes