LEI 101 hydrochloride

CAT: 0931-T69732-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69732-01Size:25 mg

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

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CAS Number

2250025-91-1

Target

Others, Cannabinoid Receptor

Related Pathways

GPCR/G Protein, Others

Bioactivity

LEI 101 hydrochloride is potent and selective CB2 partial agonist.

Smiles

O=C1N(C(=O)CN1CC2=CC=C(C=C2)C=3N=C(CN4CCS(=O)(=O)CC4)C(F)=CC3)C5CC5.Cl

Molecular Formula

C23H26ClFN4O4S

Molecular Weight

508.99

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-Cyclopropyl-1-(4-(6-((1,1-dioxidothiomorpholino)methyl)-5-fluoropyridin-2-yl)benzyl)imidazolidine-2,4-dione hydrochloride

structure in first source

CAS Number	2250025-91-1
PubChem CID	127021038
IUPAC Name	3-cyclopropyl-1-[[4-[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-fluoro-2-pyridinyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
Molecular Formula	C23H26ClFN4O4S
Molecular Weight	509.0
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	839

SMILES

C1CC1N2C(=O)CN(C2=O)CC3=CC=C(C=C3)C4=NC(=C(C=C4)F)CN5CCS(=O)(=O)CC5.Cl

InChI

InChI=1S/C23H25FN4O4S.ClH/c24-19-7-8-20(25-21(19)14-26-9-11-33(31,32)12-10-26)17-3-1-16(2-4-17)13-27-15-22(29)28(23(27)30)18-5-6-18;/h1-4,7-8,18H,5-6,9-15H2;1H

InChIKey

APLLNJWPLUIBCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2250025-91-1

CID: 127021038

Formula: C23H26ClFN4O4S

MW: 509.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	509.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	508.1347324
Monoisotopic Mass	508.1347324
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	839
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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LEI 101 hydrochloride

Chemical Information

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