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ORG-28611

CAT: 0931-T202145-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202145-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
639068-99-8
Bioactivity
ORG-28611 (SCH-900,111) is a potent full agonist of cannabinoid receptors.
Smiles
C(N1C=2C(C(C(=O)N3C[C@H](C)N(C)CC3)=C1)=CC=CC2OC)C4CCCCC4
Molecular Formula
C23H33N3O2
Molecular Weight
383.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Unii-1U7V49ntqg
CAS Number639068-99-8
PubChem CID10091392
IUPAC Name[1-(cyclohexylmethyl)-7-methoxyindol-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
Molecular FormulaC23H33N3O2
Molecular Weight383.5
XLogP4
Topological Polar Surface Area37.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity536
SMILES
C[C@H]1CN(CCN1C)C(=O)C2=CN(C3=C2C=CC=C3OC)CC4CCCCC4
InChI
InChI=1S/C23H33N3O2/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKey
ONXJNAIZJKLJGA-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Unii-1U7V49ntqg
CAS: 639068-99-8
CID: 10091392
Formula: C23H33N3O2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass383.25727730
Monoisotopic Mass383.25727730
Topological Polar Surface Area37.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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