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HS-438

CAT: 0013-GTR19197521-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197521-01Size:25 mg
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Description
HS-438 is a research compound that potently targets the BCR-ABL T315I mutant, a common cause of imatinib resistance in chronic myeloid leukemia (CML) . It has demonstrated inhibitory activity in cellular assays and shows promise for investigating novel therapeutic strategies against resistant CML in preclinical models.
CAS Number
1430720-10-7
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
N (C (NCCO) =O) C=1SC=2C (N1) =CC=C (C2) C3=C (OC) C=CC=C3
Molecular Formula
C17H17N3O3S
Molecular Weight
343.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CAS Number1430720-10-7
PubChem CID71655728
IUPAC Name1-(2-hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
Molecular FormulaC17H17N3O3S
Molecular Weight343.4
XLogP2.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity426
SMILES
COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCO
InChI
InChI=1S/C17H17N3O3S/c1-23-14-5-3-2-4-12(14)11-6-7-13-15(10-11)24-17(19-13)20-16(22)18-8-9-21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,20,22)
InChIKey
LAAHHHDILCOULN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CAS: 1430720-10-7
CID: 71655728
Formula: C17H17N3O3S
MW: 343.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass343.09906259
Monoisotopic Mass343.09906259
Topological Polar Surface Area112 Ų
Heavy Atom Count24
Formal Charge0
Complexity426
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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