Products for Research Use Only
RegisterLogin

Compound PDK0213

CAT: 0931-PDK0213-02Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-PDK0213-02Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
40172-95-0
Bioactivity
Compound PDK0213, with CAS No. 40172-95-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0213 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C(N1CCNCC1)C1=CC=CO1
Molecular Formula
C9H12N2O2
Molecular Weight
180.2038
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2-Furoyl)piperazine
CAS Number40172-95-0
PubChem CID550206
IUPAC Namefuran-2-yl(piperazin-1-yl)methanone
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP0.1
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1CN(CCN1)C(=O)C2=CC=CO2
InChI
InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKey
SADPINFEWFPMEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Furoyl)piperazine
CAS: 40172-95-0
CID: 550206
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area45.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
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
PDK0413-01Compound PDK0413
PDK0217-01Compound PDK0217
PDK0210-01Compound PDK0210
PDK0211-01Compound PDK0211
PDK0113-01Compound PDK0113
PDK0263-01Compound PDK0263
PDK0313-01Compound PDK0313
PDK0253-01Compound PDK0253
PDK0223-01Compound PDK0223
PDK0231-01Compound PDK0231

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products