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GIC-20

CAT: 0931-T86500-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86500-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2942242-60-4
Target
Apoptosis, Ferroptosis
Related Pathways
Apoptosis
Bioactivity
GIC-20, a dual inducer of apoptosis and ferroptosis, exhibits antitumor efficacy against fibrosarcoma [1].
Smiles
N(C(C(NCCC1=CC=CC=C1)=O)C2=CC=CS2)(C(CCl)=O)C3=CC=C(NC(CCCCCNC=4C(=O)C=5C(C(=O)C4)=CC=CC5)=O)C=C3
Molecular Formula
C38H37ClN4O5S
Molecular Weight
697.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 171364515
CAS Number2942242-60-4
PubChem CID171364515
IUPAC NameN-[4-[(2-chloroacetyl)-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]amino]phenyl]-6-[(1,4-dioxonaphthalen-2-yl)amino]hexanamide
Molecular FormulaC38H37ClN4O5S
Molecular Weight697.2
XLogP6.2
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count49
Formal Charge0
Complexity1180
SMILES
C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CS2)N(C3=CC=C(C=C3)NC(=O)CCCCCNC4=CC(=O)C5=CC=CC=C5C4=O)C(=O)CCl
InChI
InChI=1S/C38H37ClN4O5S/c39-25-35(46)43(36(33-14-9-23-49-33)38(48)41-22-20-26-10-3-1-4-11-26)28-18-16-27(17-19-28)42-34(45)15-5-2-8-21-40-31-24-32(44)29-12-6-7-13-30(29)37(31)47/h1,3-4,6-7,9-14,16-19,23-24,36,40H,2,5,8,15,20-22,25H2,(H,41,48)(H,42,45)
InChIKey
DFXAUZRZNXKCFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 171364515
CAS: 2942242-60-4
CID: 171364515
Formula: C38H37ClN4O5S
MW: 697.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight697.2
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass696.2173192
Monoisotopic Mass696.2173192
Topological Polar Surface Area153 Ų
Heavy Atom Count49
Formal Charge0
Complexity1180
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

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