Azd-3199
Also known as AZD 3199, AZD-3199 free base, N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide
Key facts
What buyers check first
- CAS number
- 925243-19-2
- Formula
- C32H42N4O4S
- Molar mass
- 578.78 g/mol
- EC number
- 642-932-6
- HS code
- 293420
- Category
- Screening compounds
What is Azd-3199?
Plain description, key identifiers and synonyms
Azd-3199 is a chemical substance with the molecular formula C32H42N4O4S and a molar mass of 578.78 g/mol. Its CAS registry number is 925243-19-2. The IUPAC name is N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-1-ylethoxy)propanamide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-1-ylethoxy)propanamide
- CAS number
- 925243-19-2
- EC number
- 642-932-6
- Molecular formula
- C32H42N4O4S
- UNII
- E26BND46Z6
- InChIKey
- ZVULMJYRVAVKCP-UHFFFAOYSA-N
- InChI
- InChI=1S/C32H42N4O4S/c1-3-35(4-2)20-21-36(19-18-33-17-14-26-12-13-28(37)30-31(26)41-32(39)34-30)29(38)16-23-40-22-15-25-10-7-9-24-8-5-6-11-27(24)25/h5-13,33,37H,3-4,14-23H2,1-2H3,(H,34,39)
- SMILES (canonical and isomeric)
- CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCCC3=CC=CC4=CC=CC=C43
Synonyms
- AZD 3199
- AZD-3199 free base
- N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide
- N-[2-(diethylamino)ethyl]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-(2-naphthalen-1-ylethoxy)propanamide
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 | 578.78 g/molcalc.Computed value |
|---|---|
| Exact mass | 578.2927 Dacalc.Computed value |
| LogP (octanol/water) | 4.4calc.Computed value |
| Topological polar surface area | 97.9 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 17calc.Computed value |
| Heavy atoms | 41calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.44calc.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
O=C(CCOCCc1cccc2ccccc12)NCCNCCc1cccc2[nH]c(=O)sc12
4 rings, 33 atoms.
1 other chemical share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H335May cause respiratory irritation.
Precautionary statements (7)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P271Use only outdoors or in a well-ventilated area.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P319Get medical help if you feel unwell.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidAzd-3199 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Azd-3199 can send you quotes. Your contact details stay private until you accept a quote.
Azd-3199 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Adrenergic beta-2 Receptor Agonists
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 Azd-3199 is traded under.
Compounds containing in the structure a benzothiazole ring-system (whether or not…
- China62.9%
- Belgium14.6%
- United States5.4%
- India * partner reported18.5%
- United States18.1%
- Brazil6.7%
* Partner reported figures, a lower bound.
The HS code shown for Azd-3199 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Azd-3199, based on the data on this page
What is Azd-3199?
What is the CAS number of Azd-3199?
What is the molecular formula and weight of Azd-3199?
What is Azd-3199 used for?
Is Azd-3199 hazardous?
What is the HS code of Azd-3199?
Where can I buy Azd-3199?
What is the price of Azd-3199?
Guides for buyers
Practical guides that help when you source, ship or handle Azd-3199
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- 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
Get quotes for Azd-3199
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Azd-3199 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/azd-3199-925243-19-2" title="Azd-3199 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 293420