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NBD-10007

CAT: 0013-GTR19199894-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199894-01Size:50 mg
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Description
NBD-10007 is a small molecule research compound that blocks HIV-1 entry into host cells. It serves as a useful tool for investigating viral fusion mechanisms in both in vitro cellular assays and in vivo animal models of HIV-1 infection.
CAS Number
1375736-65-4
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (NC (C (NC1=CC=C (Cl) C=C1) =O) =O) (C=2SC (CCO) =C (C) N2) C3CCCCN3
Molecular Formula
C20H25ClN4O3S
Molecular Weight
436.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-chlorophenyl)-N'-[[5-(2-hydroxyethyl)-4-methyl-thiazol-2-yl]-(2-piperidyl)methyl]oxamide
CAS Number1375736-65-4
PubChem CID57523289
IUPAC NameN-(4-chlorophenyl)-N'-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]-piperidin-2-ylmethyl]oxamide
Molecular FormulaC20H25ClN4O3S
Molecular Weight437.0
XLogP2.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity562
SMILES
CC1=C(SC(=N1)C(C2CCCCN2)NC(=O)C(=O)NC3=CC=C(C=C3)Cl)CCO
InChI
InChI=1S/C20H25ClN4O3S/c1-12-16(9-11-26)29-20(23-12)17(15-4-2-3-10-22-15)25-19(28)18(27)24-14-7-5-13(21)6-8-14/h5-8,15,17,22,26H,2-4,9-11H2,1H3,(H,24,27)(H,25,28)
InChIKey
CXKXTRRHRJSSBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chlorophenyl)-N'-[[5-(2-hydroxyethyl)-4-methyl-thiazol-2-yl]-(2-piperidyl)methyl]oxamide
CAS: 1375736-65-4
CID: 57523289
Formula: C20H25ClN4O3S
MW: 437.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.0
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass436.1335895
Monoisotopic Mass436.1335895
Topological Polar Surface Area132 Ų
Heavy Atom Count29
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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