Products for Research Use Only
RegisterLogin

(S) -P-SCN-BN-NOTA

CAT: 0013-GTR19280381-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19280381-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
(S) -P-SCN-BN-NOTA is a bifunctional chelating agent designed to covalently link the radionuclide 64Cu with ZPDGFRβ affibody, thus creating a molecular probe [64Cu]Cu-NOTA-ZPDGFRβ for positron emission tomography (PET) scanning.
CAS Number
1206475-68-4
Smiles
C ([C@@H]1N (CC (O) =O) CCN (CC (O) =O) CCN (CC (O) =O) C1) C2=CC=C (N=C=S) C=C2
Molecular Formula
C20H26N4O6S
Molecular Weight
450.51
Notes
For research use only.

Chemical Information

p-SCN-Bn-nota
CAS Number1206475-68-4
PubChem CID53358090
IUPAC Name2-[(5S)-4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid
Molecular FormulaC20H26N4O6S
Molecular Weight450.5
XLogP-4.5
Topological Polar Surface Area166
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity679
SMILES
C1CN(C[C@@H](N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O
InChI
InChI=1S/C20H26N4O6S/c25-18(26)11-22-5-6-23(12-19(27)28)10-17(24(8-7-22)13-20(29)30)9-15-1-3-16(4-2-15)21-14-31/h1-4,17H,5-13H2,(H,25,26)(H,27,28)(H,29,30)/t17-/m0/s1
InChIKey
ABEIJMWLNYUWMD-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of p-SCN-Bn-nota
CAS: 1206475-68-4
CID: 53358090
Formula: C20H26N4O6S
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP3-4.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass450.15730574
Monoisotopic Mass450.15730574
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity679
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

Related Products

CatalogName
GTR19249012-01P-SCN-Bn-NOTA
GTR19247849-01P-SCN-Bn-NOTA trihydrochloride
GTR19248037-01(S) -p-SCN-Bn-DOTA
GTR19247750-01(S) -p-SCN-Bn-TCMC hydrochloride
GTR19193019-01P-SCN-Bn-HOPO
GTR19244028-01P-SCN-Bn-DOTA
GTR19189764-01P-SCN-Bn-DOTA
GTR19266742-01P-SCN-Bn-TCMC
GTR19224306-01P-SCN-Bn-TCMC HCl
GTR19247896-01P-SCN-Bn-oxo-DO3A

Alternative Products

CatalogName
T205768-01P-SCN-Bn-NOTA
HY-W782083-01P-SCN-Bn-NOTA (trihydrochloride)
TSH-00243-01P-SCN-Bn-NOTA trihydrochloride
TRC-S200120-5MGp-SCN-Bn-NOTA Trihydrochloride, Technical Grade
TSH-00542-01P-SCN-Bn-TCMC
T38681-01P-SCN-Bn-DOTA
TRC-S200125-5MGp-SCN-Bn-deferoxamine
MBS5783697p-SCN-Bn-HOPO
RG-S031401-01(P-Scn-Bn) -Dota
HY-158066-01P-NH2-Bn-NOTA (hydrochloride hydrate)

Popular Products