Products for Research Use Only

KB-74935

CAT: 0013-GTR19194141-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194141-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KB-74935 is a small molecule compound functioning as an enzyme inhibitor and a mineralocorticoid receptor antagonist. It is utilized in research areas including lipid metabolism, neurology, and Alzheimer's disease, with applications in both in vitro and in vivo experimental models.
CAS Number
946398-78-3
Product Name Alternative
Corticosteroid Hormone Receptor, KB 74935, KB74935, KB-74935
Field of Research
Metabolism Research
Purity
98.86% (May vary between batches)
Solubility
DMSO:4.8 mg/mL (10 mM)
Smiles
C (F) (F) (F) C1=C (C=CC (F) =C1) N2C[C@@H] (C) N (S (=O) (=O) C3=C (Cl) C=C (C (N) =O) C=C3) CC2
Molecular Formula
C19H18ClF4N3O3S
Molecular Weight
479.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
CAS Number946398-78-3
PubChem CID44160268
IUPAC Name3-chloro-4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzamide
Molecular FormulaC19H18ClF4N3O3S
Molecular Weight479.9
XLogP3.6
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity763
SMILES
C[C@@H]1CN(CCN1S(=O)(=O)C2=C(C=C(C=C2)C(=O)N)Cl)C3=C(C=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1
InChIKey
OMWNFYWEMXUREB-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
CAS: 946398-78-3
CID: 44160268
Formula: C19H18ClF4N3O3S
MW: 479.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.9
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass479.0693530
Monoisotopic Mass479.0693530
Topological Polar Surface Area92.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes