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UCB-6786

CAT: 0931-T71807-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71807-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
537018-21-6
Target
Others
Related Pathways
Others
Bioactivity
UCB-6786 is a novel inhibitor of TNF signalling by stabilising an asymmetric form of the trimer, displaying a concentration-dependent response curve and selectivity over the TNFR1 extracellular domain and control proteins.
Smiles
CC1=CC=CC=C1CN1C(CO)=NC2=CC=CC=C12
Molecular Formula
C16H16N2O
Molecular Weight
252.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-(2-methylbenzyl)-1H-benzo[d]imidazol-2-yl)methanol
CAS Number537018-21-6
PubChem CID949865
IUPAC Name[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methanol
Molecular FormulaC16H16N2O
Molecular Weight252.31
XLogP2.5
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity296
SMILES
CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CO
InChI
InChI=1S/C16H16N2O/c1-12-6-2-3-7-13(12)10-18-15-9-5-4-8-14(15)17-16(18)11-19/h2-9,19H,10-11H2,1H3
InChIKey
FDWSLDWZHYNDAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(2-methylbenzyl)-1H-benzo[d]imidazol-2-yl)methanol
CAS: 537018-21-6
CID: 949865
Formula: C16H16N2O
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass252.126263138
Monoisotopic Mass252.126263138
Topological Polar Surface Area38.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity296
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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