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NR2F6 modulator-1

CAT: 0931-T62204-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T62204-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
904449-84-9
Target
Others, Chk
Related Pathways
Others, Cell Cycle/Checkpoint
Purity
0.9831
Bioactivity
NR2F6 modulator-1 is a potent modulator of nuclear receptor subfamily 2, group F, member 6 (NR2F6), used to study immune regulation and modulation of tumour stem cell activity.
Smiles
O=C(NCc1ccccc1)c1ccc2oc(=O)c(cc2c1)S(=O)(=O)c1ccccc1
Molecular Formula
C23H17NO5S
Molecular Weight
419.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NR2F6 modulator-1
CAS Number904449-84-9
PubChem CID20864493
IUPAC Name3-(benzenesulfonyl)-N-benzyl-2-oxochromene-6-carboxamide
Molecular FormulaC23H17NO5S
Molecular Weight419.5
XLogP3.7
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity772
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H17NO5S/c25-22(24-15-16-7-3-1-4-8-16)17-11-12-20-18(13-17)14-21(23(26)29-20)30(27,28)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25)
InChIKey
ZNYVQFURPOKGQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NR2F6 modulator-1
CAS: 904449-84-9
CID: 20864493
Formula: C23H17NO5S
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass419.08274382
Monoisotopic Mass419.08274382
Topological Polar Surface Area97.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity772
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