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ML390

CAT: 0013-GTR19175769-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19175769-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML390
CAS Number
2029049-79-2
Product Name Alternative
Dihydroorotate Dehydrogenase, DHODH, differentiatio, AML, Inhibitor, ER-HoxA9, myeloid, inhibit, ML 390, ML390, ML-390, THP1, U937
Field of Research
Metabolism Research
Purity
99.76% (May vary between batches)
Solubility
DMSO:27 mg/mL (66.44 mM)
Smiles
FC (F) (F) Oc1ccc (cc1) C (=O) NCCC (=O) N[C@@H]1CCCc2ccccc12
Molecular Formula
C21H21F3N2O3
Molecular Weight
406.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethoxy)benzamide
CAS Number2029049-79-2
PubChem CID71768304
IUPAC NameN-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethoxy)benzamide
Molecular FormulaC21H21F3N2O3
Molecular Weight406.4
XLogP3.9
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity562
SMILES
C1C[C@H](C2=CC=CC=C2C1)NC(=O)CCNC(=O)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C21H21F3N2O3/c22-21(23,24)29-16-10-8-15(9-11-16)20(28)25-13-12-19(27)26-18-7-3-5-14-4-1-2-6-17(14)18/h1-2,4,6,8-11,18H,3,5,7,12-13H2,(H,25,28)(H,26,27)/t18-/m1/s1
InChIKey
SGNRHEDBLPGDDC-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-(3-oxo-3-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)propyl)-4-(trifluoromethoxy)benzamide
CAS: 2029049-79-2
CID: 71768304
Formula: C21H21F3N2O3
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass406.15042702
Monoisotopic Mass406.15042702
Topological Polar Surface Area67.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
B7824-5ML390
HY-100688RML390 (Standard)
A13386-50ML390 50mg
A13386-100ML390 100mg
A13386-10ML390 10mg
A13386-25ML390 25mg
A13386-5ML390 5mg
A13386-10mM-DML390 10mM * 1mL in DMSO

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