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BM635

CAT: 0931-T10563-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T10563-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1493762-74-5
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
BM635 is an MmpL3 inhibitor with outstanding anti-mycobacterial activity (MIC50: 0.12 μM against M. tuberculosis H37Rv) .
Smiles
CC(C)c1ccc(cc1)-c1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cc1
Molecular Formula
C25H29FN2O
Molecular Weight
392.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine
CAS Number1493762-74-5
PubChem CID73953235
IUPAC Name4-[[1-(4-fluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine
Molecular FormulaC25H29FN2O
Molecular Weight392.5
XLogP5.1
Topological Polar Surface Area17.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(C)C)CN4CCOCC4
InChI
InChI=1S/C25H29FN2O/c1-18(2)20-4-6-21(7-5-20)25-16-22(17-27-12-14-29-15-13-27)19(3)28(25)24-10-8-23(26)9-11-24/h4-11,16,18H,12-15,17H2,1-3H3
InChIKey
NEEGNYKRJDHJNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine
CAS: 1493762-74-5
CID: 73953235
Formula: C25H29FN2O
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass392.22639171
Monoisotopic Mass392.22639171
Topological Polar Surface Area17.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
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

Alternative Products

CatalogName
BA1468-50BM635
A20038-25BM635 25mg
HY-109587ABM635 (hydrochloride)
A20038-50BM635 50mg
A20038-10BM635 10mg
A20038-5BM635 5mg
A20038-1BM635 1mg
HY-109587BBM635 (mesylate)
MBS5805935BM635 mesylate
GTR19186249-01BM635 hydrochloride

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