LB-102

CAT: 0931-T200914-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T200914-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2227154-23-4

Target

Dopamine Receptor, 5-HT Receptor

Related Pathways

GPCR/G Protein, Neuroscience

Bioactivity

LB-102 is an orally active inhibitor of dopamine D2, D3, and serotonin 5-HT7 receptors, utilized in the study of schizophrenia and other psychiatric disorders.

Smiles

O=C(NCC1N(CC)CCC1)C=2C=C(C(=CC2OC)NC)S(=O)(=O)CC

Molecular Formula

C18H29N3O4S

Molecular Weight

383.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	2227154-23-4
PubChem CID	134542980
IUPAC Name	N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxy-4-(methylamino)benzamide
Molecular Formula	C18H29N3O4S
Molecular Weight	383.5
XLogP	2.1
Topological Polar Surface Area	96.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	563

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

CAS: 2227154-23-4

CID: 134542980

Formula: C18H29N3O4S

MW: 383.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	383.5
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	383.18787759
Monoisotopic Mass	383.18787759
Topological Polar Surface Area	96.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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