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DCAI

CAT: 0931-T23969-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23969-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
299165-92-7
Target
Others
Related Pathways
Others
Purity
0.9979
Bioactivity
DCAI is an inhibitor of nucleotide exchange and nucleotide release acting by binding to the pocket adjacent to the Ras-SOS interface.
Smiles
C(CN)C=1C=2C(NC1C)=CC(Cl)=CC2Cl
Molecular Formula
C11H12Cl2N2
Molecular Weight
243.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,6-Dichloro-2-methyl-3-aminoethylindole
CAS Number299165-92-7
PubChem CID1381961
IUPAC Name2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine
Molecular FormulaC11H12Cl2N2
Molecular Weight243.13
XLogP3
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
CC1=C(C2=C(N1)C=C(C=C2Cl)Cl)CCN
InChI
InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
InChIKey
JCTJISIFGZHOFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dichloro-2-methyl-3-aminoethylindole
CAS: 299165-92-7
CID: 1381961
Formula: C11H12Cl2N2
MW: 243.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.13
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass242.0377538
Monoisotopic Mass242.0377538
Topological Polar Surface Area41.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
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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