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FR183998 free base

CAT: 0013-GTR19177349-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177349-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FR183998 free base
CAS Number
239440-20-1
Product Name Alternative
Ca2+ Exchanger, Ca2+Exchanger, Na+Exchanger, Na+/H+-exchange, Human platelet, Na+/H+-exchange, Rat lymphocytes, Na+/H+-exchange, Rat platelet, Na+/Ca2+ Exchanger, Na+ Exchanger, FR183998, FR-183998, FR183998 free base, FR-183998 free base, FR 183998
Field of Research
Pharmacology & Drug Discovery
Purity
97.66% (May vary between batches)
Solubility
DMSO:200 mg/mL (466.92 mM)
Smiles
CN (C) CCNC (=O) c1cc (cc (c1) -c1cc (Cl) sc1Cl) C (=O) NC (N) =N
Molecular Formula
C17H19Cl2N5O2S
Molecular Weight
428.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FR183998 free base
CAS Number239440-20-1
PubChem CID6918361
IUPAC Name3-N-(diaminomethylidene)-5-(2,5-dichlorothiophen-3-yl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
Molecular FormulaC17H19Cl2N5O2S
Molecular Weight428.3
XLogP3.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(SC(=C2)Cl)Cl)C(=O)N=C(N)N
InChI
InChI=1S/C17H19Cl2N5O2S/c1-24(2)4-3-22-15(25)10-5-9(12-8-13(18)27-14(12)19)6-11(7-10)16(26)23-17(20)21/h5-8H,3-4H2,1-2H3,(H,22,25)(H4,20,21,23,26)
InChIKey
WRLFHDDGGGWFLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FR183998 free base
CAS: 239440-20-1
CID: 6918361
Formula: C17H19Cl2N5O2S
MW: 428.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.3
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass427.0636514
Monoisotopic Mass427.0636514
Topological Polar Surface Area142 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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