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SPB-AAD

CAT: 0931-T88203-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88203-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3027246-93-8
Target
Others
Related Pathways
Others
Bioactivity
SPB-AAD is a BFPX probe that can covalently capture the in vitro assembled MEF2/DNA and NFAT1/DNA complexes.
Smiles
O=C1OC=2C(C=C1)=CC=3C=COC3C2OCCCC(=O)NCCC4(N=N4)CCC#C
Molecular Formula
C22H21N3O5
Molecular Weight
407.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spb-aad
CAS Number3027246-93-8
PubChem CID170732876
IUPAC NameN-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutanamide
Molecular FormulaC22H21N3O5
Molecular Weight407.4
XLogP2.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity764
SMILES
C#CCCC1(N=N1)CCNC(=O)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3
InChI
InChI=1S/C22H21N3O5/c1-2-3-9-22(24-25-22)10-11-23-17(26)5-4-12-28-21-19-16(8-13-29-19)14-15-6-7-18(27)30-20(15)21/h1,6-8,13-14H,3-5,9-12H2,(H,23,26)
InChIKey
ZMQCPYLECHUXCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spb-aad
CAS: 3027246-93-8
CID: 170732876
Formula: C22H21N3O5
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass407.14812078
Monoisotopic Mass407.14812078
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity764
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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