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SpdSyn binder-1

CAT: 0013-GTR19221016-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221016-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SpdSyn binder-1 is a weak, active-site binding inhibitor of Plasmodium falciparum spermidine synthase. It serves as a chemical probe for studying polyamine metabolism in malaria parasites, with utility in both in vitro enzyme assays and cellular studies of Plasmodium growth inhibition.
CAS Number
251106-30-6
Product Name Alternative
P. falciparum
Field of Research
Infectious Disease & Virology
Purity
99.38% (May vary between batches)
Solubility
DMSO:34.64 mg/mL (99.99 mM)
Smiles
C (=O) (C=1C=C2C (=CC1) N=CN2) N3CCN (C/C=C/C4=CC=CC=C4) CC3
Molecular Formula
C21H22N4O
Molecular Weight
346.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SpdSyn binder-1
CAS Number251106-30-6
PubChem CID2095207
IUPAC Name3H-benzimidazol-5-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Molecular FormulaC21H22N4O
Molecular Weight346.4
XLogP2.9
Topological Polar Surface Area52.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity494
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CN4
InChI
InChI=1S/C21H22N4O/c26-21(18-8-9-19-20(15-18)23-16-22-19)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2,(H,22,23)/b7-4+
InChIKey
OHZGXXXQMBAXGH-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of SpdSyn binder-1
CAS: 251106-30-6
CID: 2095207
Formula: C21H22N4O
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass346.17936134
Monoisotopic Mass346.17936134
Topological Polar Surface Area52.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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