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LLS30

CAT: 1410-M13409-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M13409-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LLS30 is a potent, allosteric Galectin-1 (Gal-1) inhibitor.
CAS Number
2138367-58-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
701.47
Molecular Formula
C34H33Cl4N5O3
Notes
Research use only, not for human use.
Receptor
Galectin

Chemical Information

Lls-30; lls 30; lls30
CAS Number2138367-58-3
PubChem CID131987029
IUPAC Name3-[2-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3-[(3,4-dichlorophenyl)methylamino]propanamide
Molecular FormulaC34H33Cl4N5O3
Molecular Weight701.5
XLogP5.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity942
SMILES
C1=CC(=CC=C1C2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C=CC(=C3)C(CC(=O)N)NCC5=CC(=C(C=C5)Cl)Cl)N(CCO)CCO
InChI
InChI=1S/C34H33Cl4N5O3/c35-26-8-1-21(15-28(26)37)19-40-30(18-33(39)46)24-5-10-32-31(17-24)41-34(43(32)20-22-2-9-27(36)29(38)16-22)23-3-6-25(7-4-23)42(11-13-44)12-14-45/h1-10,15-17,30,40,44-45H,11-14,18-20H2,(H2,39,46)
InChIKey
XWBTXDFCKRACTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lls-30; lls 30; lls30
CAS: 2138367-58-3
CID: 131987029
Formula: C34H33Cl4N5O3
MW: 701.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight701.5
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass701.130801
Monoisotopic Mass699.133751
Topological Polar Surface Area117 Ų
Heavy Atom Count46
Formal Charge0
Complexity942
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

Alternative Products

CatalogName
HY-117404LLS30

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