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JNJ-4929821

CAT: 0931-T68605-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68605-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
836671-12-6
Target
Others
Related Pathways
Others
Bioactivity
JNJ-4929821 is a potent, reversible methionine aminopeptidase-2 (MetAP-2) inhibitor with IC50 of 8 nM.
Smiles
N(S(=O)(=O)C1=CC=CS1)(CC2=CC=C(F)C=C2)CC=3NC=NN3
Molecular Formula
C14H13FN4O2S2
Molecular Weight
352.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 46209555
CAS Number836671-12-6
PubChem CID46209555
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.4
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity480
SMILES
C1=CSC(=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)CC3=NC=NN3
InChI
InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKey
UGVZRLMKBSBNEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 46209555
CAS: 836671-12-6
CID: 46209555
Formula: C14H13FN4O2S2
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass352.04639618
Monoisotopic Mass352.04639618
Topological Polar Surface Area116 Ų
Heavy Atom Count23
Formal Charge0
Complexity480
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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