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BM 21.1298

CAT: 0804-HY-129667Size: 1 EachDry Ice: NoHazardous: No
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Description
BM 21.1298 is a selective and high specific nonnucleoside immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT) inhibitor with antiviral activity[1].
CAS Number
5218-08-6
UNSPSC
12352005
Target
HIV; Reverse Transcriptase
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/bm-21-1298.html
Smiles
O=C1N2C(SCC2)(C3=CC=CC=C3)C4=C1C=CC=C4
Molecular Formula
C16H13NOS
Molecular Weight
267.35
References & Citations
[1]Maass G, et al. Viral resistance to the thiazolo-iso-indolinones, a new class of nonnucleoside inhibitors of human immunodeficiency virus type 1 reverse transcriptase. Antimicrob Agents Chemother. 1993 Dec;37 (12) :2612-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

BM 21.1298

inhibits HIV-1 reverse transcriptase; structure in first source

CAS Number5218-08-6
PubChem CID65152
IUPAC Name9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Molecular FormulaC16H13NOS
Molecular Weight267.3
XLogP3
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity379
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey
CTGFADZNCCTVMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BM 21.1298
CAS: 5218-08-6
CID: 65152
Formula: C16H13NOS
MW: 267.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.3
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass267.07178521
Monoisotopic Mass267.07178521
Topological Polar Surface Area45.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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