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CMP8

CAT: 0013-GTR19175427-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175427-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CMP8 is a selective estrogen receptor ligand with high affinity for mutant ER-LBD, exhibiting IC50 values of 29 nM (MGERα), 41 nM (MGRERα), 1100 nM (hERα), and 2200 nM (hERβ) . This small molecule is a valuable research tool for investigating ER function and selectivity in both cellular and biochemical assays.
CAS Number
851107-28-3
Product Name Alternative
CMP 8, CMP8, CMP-8, ERR, Estrogen Receptor, EstrogenReceptor, Estrogen Receptor/ERR, Inhibitor, hERα, hERβ, inhibit, MGERα, MGRERα, progestogenReceptor, progestogen Receptor
Field of Research
Metabolism Research
Purity
99.36% (May vary between batches)
Solubility
DMSO:50 mg/mL (94.68 mM)
Smiles
C (C12C (C=3C (C1) =CC (O) =CC3) =C (C (=O) CC2) C4=CC=C (OCCN5CCCCC5) C=C4) C6=CC=C (Cl) C=C6
Molecular Formula
C33H34ClNO3
Molecular Weight
528.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9a-(4-Chlorobenzyl)-7-hydroxy-4-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-9,9a-dihydro-1H-fluoren-3(2H)-one
CAS Number851107-28-3
PubChem CID16082575
IUPAC Name9a-[(4-chlorophenyl)methyl]-7-hydroxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,9-dihydro-1H-fluoren-3-one
Molecular FormulaC33H34ClNO3
Molecular Weight528.1
XLogP6.6
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity852
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C5=C(CC4(CCC3=O)CC6=CC=C(C=C6)Cl)C=C(C=C5)O
InChI
InChI=1S/C33H34ClNO3/c34-26-8-4-23(5-9-26)21-33-15-14-30(37)31(32(33)29-13-10-27(36)20-25(29)22-33)24-6-11-28(12-7-24)38-19-18-35-16-2-1-3-17-35/h4-13,20,36H,1-3,14-19,21-22H2
InChIKey
YHOXIEXEPIIKMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9a-(4-Chlorobenzyl)-7-hydroxy-4-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-9,9a-dihydro-1H-fluoren-3(2H)-one
CAS: 851107-28-3
CID: 16082575
Formula: C33H34ClNO3
MW: 528.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.1
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass527.2227216
Monoisotopic Mass527.2227216
Topological Polar Surface Area49.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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