NNC 0640
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Product
NNC 0640
CAS
307986-98-7
Formula
C29H31N7O4S
Product Description
NNC 0640 is a chemical compound with the CAS number 307986-98-7, characterized by its complex molecular structure (C29H31N7O4S). It is primarily recognized for its potential applications in pharmaceutical research and development.
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Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
970
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Rotatable Bond Count
8
Allowed IUPAC Name
4-[[4-cyclohexyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CAS-like Style IUPAC Name
4-[(4-cyclohexyl-N-[(3-methylsulfonylanilino)-oxomethyl]anilino)methyl]-N-(2H-tetrazol-5-yl)benzamide
Markup IUPAC Name
4-[[4-cyclohexyl-<I>N</I>-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-<I>N</I>-(2<I>H</I>-tetrazol-5-yl)benzamide
Preferred IUPAC Name
4-[[4-cyclohexyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
Systematic IUPAC Name
4-[[(4-cyclohexylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide
Traditional IUPAC Name
4-[[4-cyclohexyl-N-[(3-mesylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
Standard InChI
InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)
Standard InChIKey
PPTKULJUDJWTSA-UHFFFAOYSA-N
XLogP3-AA Log P
4.7
Exact Mass
573.21582367
Molecular Weight
573.7
Canonical SMILES
CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C4=CC=C(C=C4)C5CCCCC5
Isomeric SMILES
CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C4=CC=C(C=C4)C5CCCCC5
Polar Surface Area Topological
158
MonoIsotopic Weight
573.21582367
Chemical Structure
Class
Uses of NNC 0640
NNC 0640 is utilized in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of various therapeutic agents. Its unique chemical properties make it valuable in drug formulation and development processes.
Industries that use NNC 0640
- Pharmaceutical - In the pharmaceutical industry, NNC 0640 is used in the development of new drugs, particularly in research focused on treating specific medical conditions.
- Biotechnology - Biotechnology firms may use NNC 0640 in the development of biologics and other advanced therapeutic modalities.
- Research and Development - Research institutions utilize NNC 0640 in various studies to explore its pharmacological effects and potential therapeutic applications.
Related Products
- Complementary Products
- Alternative Products
Contact Us
NNC 0640
Product
NNC 0640
CAS
307986-98-7
Formula
C29H31N7O4S
Product Description
NNC 0640 is a chemical compound with the CAS number 307986-98-7, characterized by its complex molecular structure (C29H31N7O4S). It is primarily recognized for its potential applications in pharmaceutical research and development.
Need a quote for NNC 0640?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Canonicalized Compound
1
Compound Complexity
970
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Rotatable Bond Count
8
Allowed IUPAC Name
4-[[4-cyclohexyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CAS-like Style IUPAC Name
4-[(4-cyclohexyl-N-[(3-methylsulfonylanilino)-oxomethyl]anilino)methyl]-N-(2H-tetrazol-5-yl)benzamide
Markup IUPAC Name
4-[[4-cyclohexyl-<I>N</I>-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-<I>N</I>-(2<I>H</I>-tetrazol-5-yl)benzamide
Preferred IUPAC Name
4-[[4-cyclohexyl-N-[(3-methylsulfonylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
Systematic IUPAC Name
4-[[(4-cyclohexylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide
Traditional IUPAC Name
4-[[4-cyclohexyl-N-[(3-mesylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
Standard InChI
InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)
Standard InChIKey
PPTKULJUDJWTSA-UHFFFAOYSA-N
XLogP3-AA Log P
4.7
Exact Mass
573.21582367
Molecular Weight
573.7
Canonical SMILES
CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C4=CC=C(C=C4)C5CCCCC5
Isomeric SMILES
CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)NC3=NNN=N3)C4=CC=C(C=C4)C5CCCCC5
Polar Surface Area Topological
158
MonoIsotopic Weight
573.21582367
Chemical Structure
Class
Uses of NNC 0640
NNC 0640 is utilized in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of various therapeutic agents. Its unique chemical properties make it valuable in drug formulation and development processes.
Industries that use NNC 0640
- Pharmaceutical - In the pharmaceutical industry, NNC 0640 is used in the development of new drugs, particularly in research focused on treating specific medical conditions.
- Biotechnology - Biotechnology firms may use NNC 0640 in the development of biologics and other advanced therapeutic modalities.
- Research and Development - Research institutions utilize NNC 0640 in various studies to explore its pharmacological effects and potential therapeutic applications.
Related Products
- Complementary Products
- Alternative Products
Contact Us
