Products for Research Use Only
RegisterLogin

BDM31369

CAT: 0931-T71650-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T71650-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1001467-91-9
Target
Others
Related Pathways
Others
Bioactivity
BDM31369 is an activator of ethionamide.
Smiles
C(CCC(C)C)(=O)N1CCC(C2=NC(=NO2)C3=CC=CS3)CC1
Molecular Formula
C17H23N3O2S
Molecular Weight
333.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CAS Number1001467-91-9
PubChem CID24804103
IUPAC Name4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
Molecular FormulaC17H23N3O2S
Molecular Weight333.5
XLogP3.2
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity399
SMILES
CC(C)CCC(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3
InChIKey
QWPAQBJBWLSPSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one
CAS: 1001467-91-9
CID: 24804103
Formula: C17H23N3O2S
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass333.15109816
Monoisotopic Mass333.15109816
Topological Polar Surface Area87.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity399
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

Related Products

CatalogName
T71649-01BDM31343

Alternative Products

CatalogName
MBS5814188BDM31369

Popular Products