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Anticancer agent 3

CAT: 0013-GTR19206913-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206913-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Compound 4, also known as Anticancer agent 3, is a small molecule investigational compound with demonstrated antitumor activity. It is utilized in cancer research for in vitro cell-based assays and in vivo preclinical studies to investigate mechanisms of proliferation inhibition and apoptosis induction.
CAS Number
146537-05-5
Smiles
C (N) C1=C2C (=C (NCCN (CC) CC) C=C1) C (=O) C=3C (S2) =CC=CC3
Molecular Formula
C20H25N3OS
Molecular Weight
355.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 3
CAS Number146537-05-5
PubChem CID9998338
IUPAC Name4-(aminomethyl)-1-[2-(diethylamino)ethylamino]thioxanthen-9-one
Molecular FormulaC20H25N3OS
Molecular Weight355.5
XLogP2.4
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)CN)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C20H25N3OS/c1-3-23(4-2)12-11-22-16-10-9-14(13-21)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,22H,3-4,11-13,21H2,1-2H3
InChIKey
RPGMVOVTCDJHJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 3
CAS: 146537-05-5
CID: 9998338
Formula: C20H25N3OS
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass355.17183360
Monoisotopic Mass355.17183360
Topological Polar Surface Area83.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
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

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