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Screening compounds

Orb3236541

CAS 3102293-90-0Formula C28H32N6O4Molar mass 516.60 g/mol
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Orb3236541 chemical structure, C28H32N6O4, CAS 3102293-90-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3102293-90-0
Formula
C28H32N6O4
Molar mass
516.60 g/mol
HS code
293359
Category
Screening compounds

What is Orb3236541?

Plain description, key identifiers and synonyms

Orb3236541 is a chemical substance with the molecular formula C28H32N6O4 and a molar mass of 516.60 g/mol. Its CAS registry number is 3102293-90-0. The IUPAC name is 3,4,5-trimethoxy-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-3H-benzimidazol-5-yl]benzamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4,5-trimethoxy-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-3H-benzimidazol-5-yl]benzamide
CAS number
3102293-90-0
Molecular formula
C28H32N6O4
InChIKey
LMZNOZNYFZQHAM-UHFFFAOYSA-N
InChI
InChI=1S/C28H32N6O4/c1-33-11-13-34(14-12-33)21-8-5-19(6-9-21)30-28-31-22-10-7-20(17-23(22)32-28)29-27(35)18-15-24(36-2)26(38-4)25(16-18)37-3/h5-10,15-17H,11-14H2,1-4H3,(H,29,35)(H2,30,31,32)
SMILES (canonical and isomeric)
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(N3)C=C(C=C4)NC(=O)C5=CC(=C(C(=C5)OC)OC)OC

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
516.60 g/molcalc.
Exact mass
516.2485 Dacalc.
LogP (octanol/water)
4.34calc.
Topological polar surface area
104 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
38calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C(Nc1ccc2nc(Nc3ccc(N4CCNCC4)cc3)[nH]c2c1)c1ccccc1

O=C(Nc1ccc2nc(Nc3ccc(N4CCNCC4)cc3)[nH]c2c1)c1ccccc1

5 rings, 31 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.

Orb3236541 suppliers

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Orb3236541 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

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 Orb3236541 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3236541 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236541, based on the data on this page

What is Orb3236541?

Orb3236541 is a chemical substance with the molecular formula C28H32N6O4 and a molar mass of 516.60 g/mol. Its CAS registry number is 3102293-90-0. The IUPAC name is 3,4,5-trimethoxy-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-3H-benzimidazol-5-yl]benzamide.

What is the CAS number of Orb3236541?

The CAS registry number of Orb3236541 is 3102293-90-0.

What is the molecular formula and weight of Orb3236541?

The molecular formula of Orb3236541 is C28H32N6O4 and its molar mass is 516.60 g/mol.

What is Orb3236541 used for?

Known uses and roles of Orb3236541 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236541 hazardous?

No GHS hazard classification for Orb3236541 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 Orb3236541?

Orb3236541 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3236541?

Post a free request on CompoundList and suppliers of Orb3236541 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236541?

Suppliers quote Orb3236541 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

Practical guides that help when you source, ship or handle Orb3236541

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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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