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OM-189

CAT: 0013-GTR19205254-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205254-02Size:50 mg
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Description
OM-189 is a potent and selective small molecule inhibitor of thrombin, specifically targeting its synthetic form. It is a valuable research tool for studying coagulation and thrombosis in both in vitro biochemical assays and in vivo animal models of hemostasis.
CAS Number
55381-18-5
Field of Research
Protein Biochemistry
Smiles
S (N[C@H] (C (=O) N1CCC (C) CC1) CCCNC (=N) N) (=O) (=O) C=2C3=C (C (N (C) C) =CC=C3) C=CC2
Molecular Formula
C24H36N6O3S
Molecular Weight
488.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 21125474
CAS Number55381-18-5
PubChem CID21125474
IUPAC Name2-[(4S)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]guanidine
Molecular FormulaC24H36N6O3S
Molecular Weight488.6
XLogP2.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity800
SMILES
CC1CCN(CC1)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C24H36N6O3S/c1-17-12-15-30(16-13-17)23(31)20(9-6-14-27-24(25)26)28-34(32,33)22-11-5-7-18-19(22)8-4-10-21(18)29(2)3/h4-5,7-8,10-11,17,20,28H,6,9,12-16H2,1-3H3,(H4,25,26,27)/t20-/m0/s1
InChIKey
JVLBGBDQWIMMLO-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of CID 21125474
CAS: 55381-18-5
CID: 21125474
Formula: C24H36N6O3S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass488.25696021
Monoisotopic Mass488.25696021
Topological Polar Surface Area143 Ų
Heavy Atom Count34
Formal Charge0
Complexity800
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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