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CHK-336

CAT: 0931-T79874-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T79874-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2743436-86-2
Target
Dehydrogenase, Others
Related Pathways
Others, Metabolism
Bioactivity
CHK-336 (Example 1), an orally active LDHA inhibitor (IC50 <1 nM), suppresses lactate production in mouse hepatocytes and is applicable in hyperoxaluria research [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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