Products for Research Use Only
RegisterLogin

JMF4073

CAT: 0931-T88587-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T88587-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1927930-61-7
Target
DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
JMF4073, an inhibitor of thymidine monophosphate (TMP) and cytidine monophosphate (CMP) kinases, exhibits IC50 values of 0.16 μM and 0.17 μM, respectively. This compound effectively eliminates wild-type (WT) -Bcr-Abl-transformed myeloid cells both in vitro and in vivo.
Smiles
O=C(OC(C)(C)C)N1CCN(C(=O)CN2SC3=CC=C(F)C=C3C2=O)CC1
Molecular Formula
C18H22FN3O4S
Molecular Weight
395.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
CAS Number1927930-61-7
PubChem CID121363146
IUPAC Nametert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
Molecular FormulaC18H22FN3O4S
Molecular Weight395.5
XLogP1.7
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity604
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(S2)C=CC(=C3)F
InChI
InChI=1S/C18H22FN3O4S/c1-18(2,3)26-17(25)21-8-6-20(7-9-21)15(23)11-22-16(24)13-10-12(19)4-5-14(13)27-22/h4-5,10H,6-9,11H2,1-3H3
InChIKey
LBKQSSRUMAUEFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
CAS: 1927930-61-7
CID: 121363146
Formula: C18H22FN3O4S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass395.13150553
Monoisotopic Mass395.13150553
Topological Polar Surface Area95.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity604
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
HY-162698JMF4073

Popular Products