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KCL-286

CAT: 0931-T78575-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78575-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1952276-71-9
Target
Retinoid Receptor
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
KCL-286 is an orally available and potent retinoic acid receptor beta agonist for the amelioration of spinal cord injury (SCI) .
Smiles
O=C(O)C=1C=CC(=CC1)C2=NOC(=N2)C=3OC=4C(C3)=C(C=CC4C)C
Molecular Formula
C19H14N2O4
Molecular Weight
334.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unii-N8lrs5gbb6

Unii-N8lrs5gbb6 is an organic molecular entity.

CAS Number1952276-71-9
PubChem CID121414283
IUPAC Name4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
Molecular FormulaC19H14N2O4
Molecular Weight334.3
XLogP4.2
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity494
SMILES
CC1=C2C=C(OC2=C(C=C1)C)C3=NC(=NO3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C19H14N2O4/c1-10-3-4-11(2)16-14(10)9-15(24-16)18-20-17(21-25-18)12-5-7-13(8-6-12)19(22)23/h3-9H,1-2H3,(H,22,23)
InChIKey
AVCXUODHLRZJJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unii-N8lrs5gbb6
CAS: 1952276-71-9
CID: 121414283
Formula: C19H14N2O4
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass334.09535693
Monoisotopic Mass334.09535693
Topological Polar Surface Area89.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity494
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