Products for Research Use Only
RegisterLogin

Estrogen receptor modulator 6

CAT: 0931-T40893Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T40893Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
787621-78-7
Target
Others, Estrogen Receptor/ERR
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
Estrogen receptor modulator 6 (compound 3a) is a highly specific and potent agonist of the estrogen receptor (ER) β, exhibiting remarkable affinity (K i = 0.44 nM) and impressive 19-fold selectivity for ERβ over ERα, as evidenced by its affinity (K i = 8.4 nM) .
Smiles
[H][C@]12CC(F)(F)C[C@@]1([H])c1cc(O)ccc1O[C@H]2c1ccc(O)cc1
Molecular Formula
C18H16F2O3
Molecular Weight
318.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta(c)chromen-8-ol
CAS Number787621-78-7
PubChem CID11197931
IUPAC Name(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-8-ol
Molecular FormulaC18H16F2O3
Molecular Weight318.3
XLogP4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity436
SMILES
C1[C@H]2[C@@H](CC1(F)F)C3=C(C=CC(=C3)O)O[C@H]2C4=CC=C(C=C4)O
InChI
InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
InChIKey
QJSMFUTULGSHNQ-ZOBUZTSGSA-N
Chemical Structure
2D Structure
2D structure of (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta(c)chromen-8-ol
CAS: 787621-78-7
CID: 11197931
Formula: C18H16F2O3
MW: 318.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.3
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass318.10675069
Monoisotopic Mass318.10675069
Topological Polar Surface Area49.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T79064-01Estrogen receptor modulator 7
T15249-01Estrogen receptor modulator 1
T207309-01Estrogen receptor modulator 13
T205569-01Estrogen receptor modulator 11
T82439-01Estrogen receptor modulator 10
T61924-01NMDA receptor modulator 6
T79504-01AMPA receptor modulator-6
T62953-01Estrogen receptor antagonist 6
T212440-01MGluR2 modulator 6
T12247-01NOT Receptor Modulator 1

Alternative Products

CatalogName
HY-164726Estrogen receptor modulator 11
HY-119088Estrogen receptor modulator 12
MBS3614269-01Estrogen receptor modulator 1
SD0020-25mgChlorotrianisene (Estrogen Receptor modulator)
GTR19218789-01Estrogen receptor modulator 7
HY-155406Estrogen receptor modulator 10
MBS5820770Estrogen receptor modulator 8
GTR19188783Estrogen receptor modulator 6
GTR19257871-01Estrogen receptor modulator 13

Popular Products