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MLT943

CAT: 0013-GTR19155659-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155659-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MLT-943 is a potent, selective and orally active MALT1 protease inhibitor.
CAS Number
1832576-04-1
Purity
>98% (HPLC)
Solubility
DMSO:247 mg/mL (595.51 mM; Need ultrasonic)
Smiles
O=C (NC1=CC (C (F) (F) F) =NC=C1) NC2=C ([C@@H] (OC) C) N3C (N=C2) =CC (Cl) =N3
Molecular Formula
C16H14ClF3N6O2
Molecular Weight
414.77
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Urea, N-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-N'-[2-(trifluoromethyl)-4-pyridinyl]-
CAS Number1832576-04-1
PubChem CID118540057
IUPAC Name1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]urea
Molecular FormulaC16H14ClF3N6O2
Molecular Weight414.77
XLogP1.8
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity557
SMILES
C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=NC=C3)C(F)(F)F)OC
InChI
InChI=1S/C16H14ClF3N6O2/c1-8(28-2)14-10(7-22-13-6-12(17)25-26(13)14)24-15(27)23-9-3-4-21-11(5-9)16(18,19)20/h3-8H,1-2H3,(H2,21,23,24,27)/t8-/m0/s1
InChIKey
ZMPUACZRXUZAJD-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Urea, N-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-N'-[2-(trifluoromethyl)-4-pyridinyl]-
CAS: 1832576-04-1
CID: 118540057
Formula: C16H14ClF3N6O2
MW: 414.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.77
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass414.0818859
Monoisotopic Mass414.0818859
Topological Polar Surface Area93.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity557
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

Alternative Products

CatalogName
MBS3613490-01MLT943

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