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Screening compounds

8Sbz5D77MS

Also known as (+)-Lu-35-138, (S)-(+)-3-(1-(2-(1-Acetyl-2,3-dihydro-1H-indol-3-yl)ethyl)-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-indole, 1H-Indole, 1-acetyl-3-(2-(4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl)ethyl)-2,3-dihydro-, (3S)-

CAS 209745-47-1Formula C25H26ClN3OMolar mass 419.96 g/mol
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8Sbz5D77MS chemical structure, C25H26ClN3O, CAS 209745-47-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
209745-47-1
Formula
C25H26ClN3O
Molar mass
419.96 g/mol
HS code
293339
Category
Screening compounds

What is 8Sbz5D77MS?

Plain description, key identifiers and synonyms

8Sbz5D77MS is a chemical substance with the molecular formula C25H26ClN3O and a molar mass of 419.96 g/mol. Its CAS registry number is 209745-47-1. The IUPAC name is 1-[(3S)-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(3S)-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
CAS number
209745-47-1
Molecular formula
C25H26ClN3O
UNII
8SBZ5D77MS
InChIKey
YVIUVYJJSZFGCX-LJQANCHMSA-N
InChI
InChI=1S/C25H26ClN3O/c1-17(30)29-16-19(21-4-2-3-5-25(21)29)10-13-28-11-8-18(9-12-28)23-15-27-24-14-20(26)6-7-22(23)24/h2-8,14-15,19,27H,9-13,16H2,1H3/t19-/m1/s1
Canonical SMILES
CC(=O)N1CC(CCN2CC=C(c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21
Isomeric SMILES
CC(=O)N1C[C@H](C2=CC=CC=C21)CCN3CCC(=CC3)C4=CNC5=C4C=CC(=C5)Cl

Synonyms

  • (+)-Lu-35-138
  • (S)-(+)-3-(1-(2-(1-Acetyl-2,3-dihydro-1H-indol-3-yl)ethyl)-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1H-indole
  • 1H-Indole, 1-acetyl-3-(2-(4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl)ethyl)-2,3-dihydro-, (3S)-
  • Ethanone, 1-((3S)-3-(2-(4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl)ethyl)-2,3-dihydro-1H-indol-1-yl)-
  • LU 35138

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
419.96 g/molcalc.
Exact mass
419.1764 Dacalc.
LogP (octanol/water)
5.45calc.
Topological polar surface area
39.34 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=C(c2c[nH]c3ccccc23)CCN(CCC2CNc3ccccc32)C1

C1=C(c2c[nH]c3ccccc23)CCN(CCC2CNc3ccccc32)C1

5 rings, 26 atoms.

No other chemical in our database has this scaffold.

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.

8Sbz5D77MS suppliers

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8Sbz5D77MS price

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Uses and applications

What the substance is used for, by industry and function

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 8Sbz5D77MS is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 8Sbz5D77MS is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 8Sbz5D77MS, based on the data on this page

What is 8Sbz5D77MS?

8Sbz5D77MS is a chemical substance with the molecular formula C25H26ClN3O and a molar mass of 419.96 g/mol. Its CAS registry number is 209745-47-1. The IUPAC name is 1-[(3S)-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.

What is the CAS number of 8Sbz5D77MS?

The CAS registry number of 8Sbz5D77MS is 209745-47-1.

What is the molecular formula and weight of 8Sbz5D77MS?

The molecular formula of 8Sbz5D77MS is C25H26ClN3O and its molar mass is 419.96 g/mol.

What is 8Sbz5D77MS used for?

Known uses and roles of 8Sbz5D77MS include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 8Sbz5D77MS hazardous?

No GHS hazard classification for 8Sbz5D77MS is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 8Sbz5D77MS?

8Sbz5D77MS is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 8Sbz5D77MS?

Post a free request on CompoundList and suppliers of 8Sbz5D77MS will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 8Sbz5D77MS?

Suppliers quote 8Sbz5D77MS on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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