Products for Research Use Only
RegisterLogin

Antituberculosis agent-1

CAT: 0931-T61222-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T61222-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2411740-98-0
Target
Antibacterial, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antituberculosis Agent-1 (Compound 8a) is an effective antituberculosis agent, demonstrating a minimum inhibitory concentration (MIC) of 3.84 μg/mL against Mycobacterium tuberculosis H37Rv [1].
Smiles
C(C1=C2C(OC(=CC2=O)C3=CC=C(O)C=C3)=CC=C1O)N4CCCCC4
Molecular Formula
C21H21NO4
Molecular Weight
351.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antituberculosis agent-1
CAS Number2411740-98-0
PubChem CID162664993
IUPAC Name6-hydroxy-2-(4-hydroxyphenyl)-5-(piperidin-1-ylmethyl)chromen-4-one
Molecular FormulaC21H21NO4
Molecular Weight351.4
XLogP3.2
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity534
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C21H21NO4/c23-15-6-4-14(5-7-15)20-12-18(25)21-16(13-22-10-2-1-3-11-22)17(24)8-9-19(21)26-20/h4-9,12,23-24H,1-3,10-11,13H2
InChIKey
SUUJNJFIRDSZMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antituberculosis agent-1
CAS: 2411740-98-0
CID: 162664993
Formula: C21H21NO4
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass351.14705815
Monoisotopic Mass351.14705815
Topological Polar Surface Area70 Ų
Heavy Atom Count26
Formal Charge0
Complexity534
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
T75019-01Antituberculosis agent-7
T74769-01Antituberculosis agent-9
T211391-01Antituberculosis agent-15
T200663-01Antituberculosis agent-12
T63286-01Antituberculosis agent-3
T209823-01Antituberculosis agent-10
T204181-01Antituberculosis agent-13
T9995-01Antituberculosis agent-5
T60879-01Antituberculosis agent-2
T72263-01Antituberculosis agent-8

Alternative Products

CatalogName
MBS5803928Antituberculosis agent-1
HY-151205Antituberculosis agent-3
HY-152138Antituberculosis agent-8
HY-152137Antituberculosis agent-7
HY-152136Antituberculosis agent-6
MBS5803597Antituberculosis agent-2
GTR19263786-01Antituberculosis agent-15
HY-168860Antituberculosis agent-13
HY-149064Antituberculosis agent-9
HY-163486Antituberculosis agent-10

Popular Products