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CVS-1578

CAT: 0013-GTR19209884-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209884-01Size:25 mg
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Description
CVS-1578 is a potent small molecule serine protease inhibitor with dual activity against thrombin and Factor Xa (FXa) by targeting their S2/S3 subsites. It is a valuable research tool for studying coagulation pathways and thrombosis in both in vitro biochemical assays and in vivo animal models.
CAS Number
186318-81-0
Smiles
N (S (CC1=CC=CC=C1) (=O) =O) [C@@H]2C (=O) N (CC (N[C@@H]3C (O) N (C (=N) N) CCC3) =O) CCC2
Molecular Formula
C20H30N6O5S
Molecular Weight
466.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
CAS Number186318-81-0
PubChem CID9869156
IUPAC Name2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide
Molecular FormulaC20H30N6O5S
Molecular Weight466.6
XLogP-0.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity795
SMILES
C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
InChIKey
SPUAEQJRVQHWKF-NRAVZPKASA-N
Chemical Structure
2D Structure
2D structure of N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide
CAS: 186318-81-0
CID: 9869156
Formula: C20H30N6O5S
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP3-0.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass466.19983925
Monoisotopic Mass466.19983925
Topological Polar Surface Area177 Ų
Heavy Atom Count32
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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