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(–) -IHCH7041

CAT: 0931-T69513-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69513-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2813335-07-6
Target
Others
Related Pathways
Others
Bioactivity
(–) -IHCH7041 is a optical rotation negative isomer of IHCH7041. (–) -IHCH7041 is a DRD2 partial agonist. (–) -IHCH7041 showed EC50 = 1.38 nM in Gαi1–γ9 dissociation and 2.75 nM in β-arrestin2 recruitment. (–) -IHCH7041 exhibited a inhibition constant (Ki) of 22.44 nM binding affinity at DRD2. (–) -IHCH7041 has antidepressant properties and reverses cognitive impairment.
Smiles
C(C[C@@H]1CC[C@@H](NC(N(C)C)=O)CC1)N2C[C@]3(N(C=4C=5C(C3)=CNC5C=CC4)CC2)[H]
Molecular Formula
C24H35N5O
Molecular Weight
409.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(C)-Ihch7041
CAS Number2813335-07-6
PubChem CID171042145
IUPAC Name1,1-dimethyl-3-[4-[2-[(7S)-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]ethyl]cyclohexyl]urea
Molecular FormulaC24H35N5O
Molecular Weight409.6
XLogP3.3
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity604
SMILES
CN(C)C(=O)NC1CCC(CC1)CCN2CCN3[C@H](C2)CC4=CNC5=C4C3=CC=C5
InChI
InChI=1S/C24H35N5O/c1-27(2)24(30)26-19-8-6-17(7-9-19)10-11-28-12-13-29-20(16-28)14-18-15-25-21-4-3-5-22(29)23(18)21/h3-5,15,17,19-20,25H,6-14,16H2,1-2H3,(H,26,30)/t17?,19?,20-/m0/s1
InChIKey
BRKGSTSSCHWCSJ-UUKMXZOPSA-N
Chemical Structure
2D Structure
2D structure of (C)-Ihch7041
CAS: 2813335-07-6
CID: 171042145
Formula: C24H35N5O
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass409.28416076
Monoisotopic Mass409.28416076
Topological Polar Surface Area54.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity604
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

Alternative Products

CatalogName
MBS5812059(-)-IHCH7041
HY-153162A(-) -IHCH7041
MBS5812058IHCH7041

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