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MPO-IN-1

CAT: 0607-BA3451-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3451-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2471981-21-0
Form
A solid
Molecular Formula
C24H21ClN4
Molecular Weight
400.90
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Mpo-IN-1
CAS Number2471981-21-0
PubChem CID156018629
IUPAC Name1-[4-[4-chloro-3-(1H-indol-6-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]-N,N-dimethylmethanamine
Molecular FormulaC24H21ClN4
Molecular Weight400.9
XLogP5.1
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity549
SMILES
CN(C)CC1=CC=C(C=C1)N2C=C(C3=C(C=CN=C32)Cl)C4=CC5=C(C=C4)C=CN5
InChI
InChI=1S/C24H21ClN4/c1-28(2)14-16-3-7-19(8-4-16)29-15-20(23-21(25)10-12-27-24(23)29)18-6-5-17-9-11-26-22(17)13-18/h3-13,15,26H,14H2,1-2H3
InChIKey
MEHXWAPPUMNIFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mpo-IN-1
CAS: 2471981-21-0
CID: 156018629
Formula: C24H21ClN4
MW: 400.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.9
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass400.1454744
Monoisotopic Mass400.1454744
Topological Polar Surface Area36.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity549
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