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ISA-2011B

CAT: 0931-T15597-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15597-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1395347-24-6
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
ISA-2011B is an inhibitor of PIP5K1α and can be used in anticancer studies.
Smiles
[H][C@@]12Cc3cc4OCOc4cc3[C@H](N1C(=O)CN(C)C2=O)c1c[nH]c2ccc(Cl)cc12
Molecular Formula
C22H18ClN3O4
Molecular Weight
423.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isa-2011B

antineoplastic; structure in first source

CAS Number1395347-24-6
PubChem CID49853637
IUPAC Name(2S,8S)-2-(5-chloro-1H-indol-3-yl)-6-methyl-13,15-dioxa-3,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),10,12(16)-triene-4,7-dione
Molecular FormulaC22H18ClN3O4
Molecular Weight423.8
XLogP2.9
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity737
SMILES
CN1CC(=O)N2[C@H](C1=O)CC3=CC4=C(C=C3[C@H]2C5=CNC6=C5C=C(C=C6)Cl)OCO4
InChI
InChI=1S/C22H18ClN3O4/c1-25-9-20(27)26-17(22(25)28)4-11-5-18-19(30-10-29-18)7-13(11)21(26)15-8-24-16-3-2-12(23)6-14(15)16/h2-3,5-8,17,21,24H,4,9-10H2,1H3/t17-,21-/m0/s1
InChIKey
FSEZESVJDPKRDS-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of Isa-2011B
CAS: 1395347-24-6
CID: 49853637
Formula: C22H18ClN3O4
MW: 423.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.8
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass423.0985838
Monoisotopic Mass423.0985838
Topological Polar Surface Area74.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3845395-01ISA-2011B
A20960-25ISA-2011B 25mg
A20960-50ISA-2011B 50mg
A20960-1ISA-2011B 1mg
BUP08630-01ISA-2011B-P2
A20960-100ISA-2011B 100mg
A20960-10ISA-2011B 10mg
A20960-5ISA-2011B 5mg
A20960-10mM-DISA-2011B 10mM * 1mL in DMSO
HY-124070ISA 27

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