Products for Research Use Only
RegisterLogin

P-SCN-Bn-TCMC

CAT: 0013-GTR19266742-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19266742-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
P-SCN-Bn-TCMC is a bifunctional chelating agent. It binds to Hg2+ through a cyclen framework, while the isothiocyanate group allows for conjugation with biomolecules. p-SCN-Bn-TCMC is applicable in prostate cancer research.
CAS Number
282097-63-6
Smiles
O=C (N) CN1CCN (CC (=O) N) CCN (CC (=O) N) C (CC2=CC=C (N=C=S) C=C2) CN (CC (=O) N) CC1
Molecular Formula
C24H37N9O4S
Molecular Weight
547.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

p-SCN-Bn-TCMC
CAS Number282097-63-6
PubChem CID10076170
IUPAC Name2-[4,7,10-tris(2-amino-2-oxoethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
Molecular FormulaC24H37N9O4S
Molecular Weight547.7
XLogP-0.6
Topological Polar Surface Area230
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity862
SMILES
C1CN(CCN(C(CN(CCN1CC(=O)N)CC(=O)N)CC2=CC=C(C=C2)N=C=S)CC(=O)N)CC(=O)N
InChI
InChI=1S/C24H37N9O4S/c25-21(34)13-30-5-6-31(14-22(26)35)9-10-33(16-24(28)37)20(12-32(8-7-30)15-23(27)36)11-18-1-3-19(4-2-18)29-17-38/h1-4,20H,5-16H2,(H2,25,34)(H2,26,35)(H2,27,36)(H2,28,37)
InChIKey
LZBLLVHUXJXXNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-SCN-Bn-TCMC
CAS: 282097-63-6
CID: 10076170
Formula: C24H37N9O4S
MW: 547.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.7
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass547.26892187
Monoisotopic Mass547.26892187
Topological Polar Surface Area230 Ų
Heavy Atom Count38
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19193019-01P-SCN-Bn-HOPO
GTR19249012-01P-SCN-Bn-NOTA
GTR19244028-01P-SCN-Bn-DOTA
GTR19189764-01P-SCN-Bn-DOTA
GTR19247896-01P-SCN-Bn-oxo-DO3A
GTR19247772-01P-SCN-Bn-PCTA hydrochloride
GTR19247739-01P-SCN-Bn-HEHA hydrochloride
GTR19248037-01(S) -p-SCN-Bn-DOTA
GTR19247849-01P-SCN-Bn-NOTA trihydrochloride
GTR19280381-01(S) -P-SCN-BN-NOTA

Alternative Products

CatalogName
TSH-00542-01P-SCN-Bn-TCMC
HY-131673-01P-SCN-Bn-TCMC (tetrahydrochloride)
620115p-SCN-Bn-TCMC HCl
TSH-00374-01(S) -p-SCN-Bn-TCMC hydrochloride
HY-131673A(S) -p-SCN-Bn-TCMC (hydrochloride)
T38681-01P-SCN-Bn-DOTA
TRC-S200125-5MGp-SCN-Bn-deferoxamine
RG-A261917-01P-Scn-Bn-Nota
MBS5783697p-SCN-Bn-HOPO
RG-S031401-01(P-Scn-Bn) -Dota

Popular Products