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CHK-336

CAT: 0013-GTR19230184-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230184-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHK-336 is a potent and orally bioavailable LDHA inhibitor (IC50 <1 nM) that effectively reduces lactate production in mouse hepatocytes. It serves as a valuable research tool for studying hyperoxaluria and related metabolic disorders in both cellular and animal models.
CAS Number
2743436-86-2
Field of Research
Metabolism Research
Smiles
C (C1=C (CC2=CC (F) =C (S (N) (=O) =O) C=C2) C (=NN1C3=NC (C (O) =O) =CS3) C4=CC=C (F) C=C4) C5CC5
Molecular Formula
C24H20F2N4O4S2
Molecular Weight
530.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[5-(Cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CAS Number2743436-86-2
PubChem CID162358463
IUPAC Name2-[5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Molecular FormulaC24H20F2N4O4S2
Molecular Weight530.6
XLogP4.9
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity897
SMILES
C1CC1CC2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=C(C=C4)F)CC5=CC(=C(C=C5)S(=O)(=O)N)F
InChI
InChI=1S/C24H20F2N4O4S2/c25-16-6-4-15(5-7-16)22-17(9-14-3-8-21(18(26)10-14)36(27,33)34)20(11-13-1-2-13)30(29-22)24-28-19(12-35-24)23(31)32/h3-8,10,12-13H,1-2,9,11H2,(H,31,32)(H2,27,33,34)
InChIKey
XAHAUTPHLZAEKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(Cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CAS: 2743436-86-2
CID: 162358463
Formula: C24H20F2N4O4S2
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass530.08940380
Monoisotopic Mass530.08940380
Topological Polar Surface Area165 Ų
Heavy Atom Count36
Formal Charge0
Complexity897
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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