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BMS-707035

CAT: 0013-GTR19169948-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169948-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-707035
CAS Number
729607-74-3
Product Name Alternative
Phamacokinetics, strand transfer, inhibit, Human immunodeficiency virus, Inhibitor, HIV, HIV Integrase, HIV Protease, HIV-1 integrase strand transfer, HIVProtease, HIV-I integrase, antiviral, BMS707035, BMS-707035, BMS 707035, CYP
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Purity
99.78% (May vary between batches)
Solubility
DMSO:36 mg/mL (87.72 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.87 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
Cn1c (nc (C (=O) NCc2ccc (F) cc2) c (O) c1=O) N1CCCCS1 (=O) =O
Molecular Formula
C17H19FN4O5S
Molecular Weight
410.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-707035

HIV Integrase Inhibitor is under investigation in clinical trial NCT00397566 (A Multiple Ascending Dose Study of BMS-707035 in HIV-1 Infected Subjects).

CAS Number729607-74-3
PubChem CID54682040
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
Molecular FormulaC17H19FN4O5S
Molecular Weight410.4
XLogP1
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity812
SMILES
CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)
InChIKey
VNIWZCGZPBJWBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-707035
CAS: 729607-74-3
CID: 54682040
Formula: C17H19FN4O5S
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass410.10601905
Monoisotopic Mass410.10601905
Topological Polar Surface Area128 Ų
Heavy Atom Count28
Formal Charge0
Complexity812
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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