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MB725

CAT: 0013-GTR19194235-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194235-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MB725 is a potent and selective small molecule that reduces viability in cancer cell lines harboring the oncogenic p53-Y220C mutation. It serves as a valuable research tool for studying mutant p53 function in vitro and for exploring targeted therapeutic strategies in oncology.
CAS Number
2230058-99-6
Smiles
C (NCC) (=O) C1=C2C (=C (C (I) =C1O) N3C=CC=C3) SC (N (CC) CC) =N2
Molecular Formula
C18H21IN4O2S
Molecular Weight
484.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Diethylamino)-N-ethyl-5-hydroxy-6-iodo-7-(1H-pyrrol-1-yl)benzo[d]thiazole-4-carboxamide
CAS Number2230058-99-6
PubChem CID134817178
IUPAC Name2-(diethylamino)-N-ethyl-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxamide
Molecular FormulaC18H21IN4O2S
Molecular Weight484.4
XLogP4.5
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity490
SMILES
CCNC(=O)C1=C2C(=C(C(=C1O)I)N3C=CC=C3)SC(=N2)N(CC)CC
InChI
InChI=1S/C18H21IN4O2S/c1-4-20-17(25)11-13-16(26-18(21-13)22(5-2)6-3)14(12(19)15(11)24)23-9-7-8-10-23/h7-10,24H,4-6H2,1-3H3,(H,20,25)
InChIKey
GBNAUQMZRRFQTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Diethylamino)-N-ethyl-5-hydroxy-6-iodo-7-(1H-pyrrol-1-yl)benzo[d]thiazole-4-carboxamide
CAS: 2230058-99-6
CID: 134817178
Formula: C18H21IN4O2S
MW: 484.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass484.04299
Monoisotopic Mass484.04299
Topological Polar Surface Area98.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity490
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
T33219-01MB725

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