Products for Research Use Only
RegisterLogin

BTZ043

CAT: 0931-T3582-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T3582-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1161233-85-7
Target
DprE1, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, Others
Purity
0.9997
Bioactivity
BTZ043 is a DprE1 inhibitor with nanomolar bactericidal activity against Mycobacterium tuberculosis in vitro.
Smiles
C[C@H]1COC2(CCN(CC2)c2nc(=O)c3cc(cc([N+]([O-])=O)c3s2)C(F)(F)F)O1
Molecular Formula
C17H16F3N3O5S
Molecular Weight
431.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
CAS Number1161233-85-7
PubChem CID42609849
IUPAC Name2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
Molecular FormulaC17H16F3N3O5S
Molecular Weight431.4
XLogP2.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity720
SMILES
C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChIKey
GTUIRORNXIOHQR-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of 2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
CAS: 1161233-85-7
CID: 42609849
Formula: C17H16F3N3O5S
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass431.07627628
Monoisotopic Mass431.07627628
Topological Polar Surface Area122 Ų
Heavy Atom Count29
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1206-25BTZ043
M17691-01BTZ043 Racemate
HY-13579A-01BTZ043 (Racemate)
HY-13579R-01BTZ043 (Standard)
A21263-25BTZ043 25mg
A21263-10BTZ043 10mg

Popular Products