SB 216641
Also known as (1,1'-Biphenyl)-4-carboxamide, N-(3-(2-(dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-, N-(3-(2-dimethylaminoethoxy)-4-methoxyphenyl)-4-(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)benzamide, N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Key facts
What buyers check first
- CAS number
- 170230-39-4
- Formula
- C28H30N4O4
- Molar mass
- 486.57 g/mol
- HS code
- 293499
- Category
- Screening compounds
What is SB 216641?
Plain description, key identifiers and synonyms
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is a member of benzamides.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- CAS number
- 170230-39-4 CAS number cross-checked
- Molecular formula
- C28H30N4O4
- UNII
- ZM4360761C
- MDL number
- MFCD00941598
- InChIKey
- JRNUKVFYILMMLX-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)
- SMILES (canonical and isomeric)
- CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OCCN(C)C
Synonyms
- (1,1'-Biphenyl)-4-carboxamide, N-(3-(2-(dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-
- N-(3-(2-dimethylaminoethoxy)-4-methoxyphenyl)-4-(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)benzamide
- N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- N-(3-(2-(dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
- N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- n-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
- Tocris-1242
- SB-216,641
- N-(3-(2-(Dimethylamino)ethoxy)-4-methoxyphenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
- N-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
- N-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxamide
- Biomol-NT_000123
- SB-216641 HCl
- PDSP1_000533
- PDSP2_000531
- N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
- N-[3-[2-(dimethylamino)ethoxy]-4-methoxy-phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- N-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-2a(2)-methyl-4a(2)-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1a(2)-biphenyl]-4-carboxamide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 486.57 g/molcalc.Computed value |
|---|---|
| Exact mass | 486.2267 Dacalc.Computed value |
| LogP (octanol/water) | 5.22calc.Computed value |
| Topological polar surface area | 89.72 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 36calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.25calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
SB 216641 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ChengduUnclaimed profileSB 216641Grade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
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SB 216641 price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code SB 216641 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for SB 216641 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Same formula isomers
Different compounds that share this molecular formula
![N-[2-(2H-1,3-Benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-(3-methylphenyl)ethanediamide chemical structure, C28H30N4O4, CAS 896346-66-0](/s/FYDONALRCBYOID-UHFFFAOYSA-N.svg)
![N-[2-(2H-1,3-Benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N'-(2-methylphenyl)ethanediamide chemical structure, C28H30N4O4, CAS 896348-75-7](/s/BULRBPXTCNMRFZ-UHFFFAOYSA-N.svg)
![N1-(benzo[d][1,3]dioxol-5-yl)-N2-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-(dimethylamino)phenyl)ethyl)oxalamide chemical structure, C28H30N4O4, CAS 941914-51-8](/s/VAMKPBPFYUMGBZ-UHFFFAOYSA-N.svg)
![(Z)-Ethyl 2-((4-(tert-butyl)benzoyl)imino)-5-oxo-1-propyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate chemical structure, C28H30N4O4, CAS 534566-27-3](/s/FQURGBKMCXQONP-UHFFFAOYSA-N.svg)
![Propan-2-yl 6-methyl-4-[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate chemical structure, C28H30N4O4, CAS 889994-66-5](/s/UBWMJXNHHSQMBL-UHFFFAOYSA-N.svg)
![Ethyl 1-butyl-2-[(3,5-dimethylbenzoyl)imino]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate chemical structure, C28H30N4O4, CAS 848919-84-6](/s/HLZKRALFOYGATP-UHFFFAOYSA-N.svg)
![Ethyl 2-[(3,5-dimethylbenzoyl)imino]-1-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate chemical structure, C28H30N4O4, CAS 847917-10-6](/s/PYPKJLLWMORXCR-UHFFFAOYSA-N.svg)
![1-{4-[2-Hydroxy-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propoxy]phenoxy}-3-(2-methyl-1H-1,3-benzodiazol-1-yl)propan-2-ol chemical structure, C28H30N4O4, CAS 331870-16-7](/s/QIMMPMWCSKTYHY-UHFFFAOYSA-N.svg)
![N-[(2,3-Diphenyl-1,2-oxazolidin-5-yl)methyl]-1-(4-nitrophenyl)piperidine-4-carboxamide chemical structure, C28H30N4O4, CAS 306977-99-1](/s/CSXIPRMXWPTRKN-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about SB 216641, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle SB 216641
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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