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BL-2401

CAT: 0013-GTR19273217-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273217-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BL-2401 is an orally active enkephalinase inhibitor with antinociceptive and antidepressant-like properties linked to the endogenous opioid system. It is utilized for research in neurological disorders.
CAS Number
151774-56-0
Smiles
O=C (O) C1=CC (=CC (=C1) C) NC (=O) C (CSC (=O) CC) CC=2C=CC=CC2
Molecular Formula
C21H23NO4S
Molecular Weight
385.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BL-2401
CAS Number151774-56-0
PubChem CID9952090
IUPAC Name3-[(2-benzyl-3-propanoylsulfanylpropanoyl)amino]-5-methylbenzoic acid
Molecular FormulaC21H23NO4S
Molecular Weight385.5
XLogP3.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count27
Formal Charge0
Complexity518
SMILES
CCC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C
InChI
InChI=1S/C21H23NO4S/c1-3-19(23)27-13-17(11-15-7-5-4-6-8-15)20(24)22-18-10-14(2)9-16(12-18)21(25)26/h4-10,12,17H,3,11,13H2,1-2H3,(H,22,24)(H,25,26)
InChIKey
VXXKXVZZQWCQQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BL-2401
CAS: 151774-56-0
CID: 9952090
Formula: C21H23NO4S
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass385.13477939
Monoisotopic Mass385.13477939
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity518
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

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