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PS121912

CAT: 0931-T24675-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24675-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1529814-60-5
Target
Others, Vitamin, Apoptosis
Related Pathways
Apoptosis, Metabolism, Others
Bioactivity
PS121912 is a potent and selective inhibitor of VDR-coactivator.
Smiles
C(NC1=CC=C(C(F)(F)F)C=C1)(C=2C=3C(NC2C)=CC=CC3)C4=CC=C(OC)C=C4
Molecular Formula
C24H21F3N2O
Molecular Weight
410.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 73334809
CAS Number1529814-60-5
PubChem CID73334809
IUPAC NameN-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-(trifluoromethyl)aniline
Molecular FormulaC24H21F3N2O
Molecular Weight410.4
XLogP6.5
Topological Polar Surface Area37.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity541
SMILES
CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H21F3N2O/c1-15-22(20-5-3-4-6-21(20)28-15)23(16-7-13-19(30-2)14-8-16)29-18-11-9-17(10-12-18)24(25,26)27/h3-14,23,28-29H,1-2H3
InChIKey
NNTQFFZNUZBJND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 73334809
CAS: 1529814-60-5
CID: 73334809
Formula: C24H21F3N2O
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass410.16059778
Monoisotopic Mass410.16059778
Topological Polar Surface Area37.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity541
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

Alternative Products

CatalogName
BA9272-25PS121912

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