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ML347

CAT: 1568-C12481-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C12481-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1062368-49-3
Synonyms
LDN-193719
Target
TGF-beta/Smad
Applications
TGF-beta/Smad
Smiles
COC1=CC=C (C=C1) C2=CN3C (=C (C=N3) C4=C5C=CC=NC5=CC=C4) N=C2
Molecular Formula
C22 H16 N4 O
Additionnal Information
ML347 (LDN-193719) is a selective BMP receptor inhibitor with IC50 of 32 nM for ALK2, >300-fold selectivity over ALK3. Also inhibits ALK1 activity with IC50 of 46 nM.
Storage Conditions
2 years -80 in solvent

Chemical Information

ML347

an ALK2 inhibitor; structure in first source

CAS Number1062368-49-3
PubChem CID44577753
IUPAC Name5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Molecular FormulaC22H16N4O
Molecular Weight352.4
XLogP3.8
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=C5C=CC=NC5=CC=C4)N=C2
InChI
InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3
InChIKey
FVRYPYDPKSZGNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML347
CAS: 1062368-49-3
CID: 44577753
Formula: C22H16N4O
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass352.13241115
Monoisotopic Mass352.13241115
Topological Polar Surface Area52.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
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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Alternative Products

CatalogName
MBS385152-01ML347
A14298-50ML347 50mg
A14298-100ML347 100mg
A14298-25ML347 25mg
A14298-10ML347 10mg
A14298-5ML347 5mg
A14298-2ML347 2mg
MBS130238-01ML347, LDN 193719
A14298-10mM-DML347 10mM * 1mL in DMSO

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