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R110

CAT: 0931-T60744-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60744-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1985622-33-0
Target
Others, MIF
Related Pathways
Immunology/Inflammation, Others
Bioactivity
R110 shows the potential for cancer research that is a potent, competitive MIF2 tautomerase inhibitor (IC 50 = 15 μM) [1].
Smiles
C(NCCCC)(=O)C=1C=C(SC1N)C2=CC=C(Cl)C=C2
Molecular Formula
C15H17ClN2OS
Molecular Weight
308.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 134152941
CAS Number1985622-33-0
PubChem CID134152941
IUPAC Name2-amino-N-butyl-5-(4-chlorophenyl)thiophene-3-carboxamide
Molecular FormulaC15H17ClN2OS
Molecular Weight308.8
XLogP4.6
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity321
SMILES
CCCCNC(=O)C1=C(SC(=C1)C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C15H17ClN2OS/c1-2-3-8-18-15(19)12-9-13(20-14(12)17)10-4-6-11(16)7-5-10/h4-7,9H,2-3,8,17H2,1H3,(H,18,19)
InChIKey
IADRJQICSPVBQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 134152941
CAS: 1985622-33-0
CID: 134152941
Formula: C15H17ClN2OS
MW: 308.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.8
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass308.0750120
Monoisotopic Mass308.0750120
Topological Polar Surface Area83.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity321
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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CatalogName
T3185-01R112

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