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BMS-905

CAT: 0931-T60052-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60052-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2205846-49-5
Target
TLR
Related Pathways
Immunology/Inflammation
Purity
0.9994
Bioactivity
BMS-905 is a potent dual inhibitors of TLR7 and TLR8 with good selectivity against TLR9 and other family members. BMS-905 can be used in studies about the treatment of diseases such as psoriasis, arthritis, and lupus.
Smiles
C(C)(C)C=1C=2C(NC1C=3C=C(C)N=C(C)C3)=CC=C(C2)C4CCNCC4
Molecular Formula
C23H29N3
Molecular Weight
347.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CAS Number2205846-49-5
PubChem CID134329228
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
Molecular FormulaC23H29N3
Molecular Weight347.5
XLogP4.7
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity448
SMILES
CC1=CC(=CC(=N1)C)C2=C(C3=C(N2)C=CC(=C3)C4CCNCC4)C(C)C
InChI
InChI=1S/C23H29N3/c1-14(2)22-20-13-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-15(3)25-16(4)12-19/h5-6,11-14,17,24,26H,7-10H2,1-4H3
InChIKey
XSXCQWXAFRASGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
CAS: 2205846-49-5
CID: 134329228
Formula: C23H29N3
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass347.236147938
Monoisotopic Mass347.236147938
Topological Polar Surface Area40.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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