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CDK9 inhibitor HH1

CAT: 1410-M13175-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M13175-01Size: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
CDK9 inhibitor HH1 is a novel potent, highly selective CDK9 inhibitor.
CAS Number
204188-41-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
261.343
Molecular Formula
C13H15N3OS
Notes
Research use only, not for human use.
Receptor
CDK

Chemical Information

(4-Amino-2-(isopropylamino)thiazol-5-yl)(phenyl)methanone
CAS Number204188-41-0
PubChem CID15323467
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone
Molecular FormulaC13H15N3OS
Molecular Weight261.34
XLogP3.9
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity292
SMILES
CC(C)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)N
InChI
InChI=1S/C13H15N3OS/c1-8(2)15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,16)
InChIKey
WHJIFFVMTRXENN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Amino-2-(isopropylamino)thiazol-5-yl)(phenyl)methanone
CAS: 204188-41-0
CID: 15323467
Formula: C13H15N3OS
MW: 261.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.34
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass261.09358328
Monoisotopic Mass261.09358328
Topological Polar Surface Area96.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity292
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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