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Heterocyclic building blocks

7110MD

Also known as 7110 MD, 1-Propanone, 1-phenyl-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2), 3-(2-((4-Cinnamyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)propiophenone dimaleate

CAS 51493-20-0Formula C38H40N4O9Molar mass 696.76 g/molEC 257-240-6
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7110MD chemical structure, C38H40N4O9, CAS 51493-20-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51493-20-0
Formula
C38H40N4O9
Molar mass
696.76 g/mol
EC number
257-240-6
HS code
293359
Category
Heterocyclic building blocks

What is 7110MD?

Plain description, key identifiers and synonyms

7110MD is a chemical substance with the molecular formula C38H40N4O9 and a molar mass of 696.76 g/mol. Its CAS registry number is 51493-20-0. The IUPAC name is bis((E)-but-2-enedioic acid), 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((E)-but-2-enedioic acid), 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
CAS number
51493-20-0
EC number
257-240-6
Molecular formula
C38H40N4O9
InChIKey
HQQKMIFTIIWMIQ-VIKIHMOOSA-N
InChI
InChI=1S/C30H32N4O.2C4H4O4/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25;2*5-3(6)1-2-4(7)8/h1-16H,17-24H2;2*1-2H,(H,5,6)(H,7,8)/b12-9-;2*2-1+
Canonical SMILES
O=C(CCn1c(CN2CCN(CC=Cc3ccccc3)CC2)nc2ccccc21)c1ccccc1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O
Isomeric SMILES
C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)C/C=C\C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Synonyms

  • 7110 MD
  • 1-Propanone, 1-phenyl-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)
  • 3-(2-((4-Cinnamyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)propiophenone dimaleate
  • 1-(2-Benzoylethyl) 2-(cinnamyl piperazinyl 1-methyl) benzimidazole dimaleate
  • (E)-but-2-enedioic acid, 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
  • 1-(2-benzoylethyl)-2-(cinnamylpiperazinyl-1-methyl)benzimidazole dimaleate

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
696.76 g/molcalc.
Exact mass
696.2795 Dacalc.
LogP (octanol/water)
4.56calc.
Topological polar surface area
190.6 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
13calc.
Heavy atoms
51calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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(CCn1c(CN2CCN(CC=Cc3ccccc3)CC2)nc2ccccc21)c1ccccc1

O=C(CCn1c(CN2CCN(CC=Cc3ccccc3)CC2)nc2ccccc21)c1ccccc1

5 rings, 35 atoms, the Cinprazole ring system.

7 other chemicals share 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.

7110MD suppliers

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7110MD 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 7110MD 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 7110MD is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 7110MD, based on the data on this page

What is 7110MD?

7110MD is a chemical substance with the molecular formula C38H40N4O9 and a molar mass of 696.76 g/mol. Its CAS registry number is 51493-20-0. The IUPAC name is bis((E)-but-2-enedioic acid), 1-phenyl-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.

What is the CAS number of 7110MD?

The CAS registry number of 7110MD is 51493-20-0.

What is the molecular formula and weight of 7110MD?

The molecular formula of 7110MD is C38H40N4O9 and its molar mass is 696.76 g/mol.

What is 7110MD used for?

Known uses and roles of 7110MD include building blocks in research and laboratory.

Is 7110MD hazardous?

No GHS hazard classification for 7110MD 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 7110MD?

7110MD 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 7110MD?

Post a free request on CompoundList and suppliers of 7110MD will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 7110MD?

Suppliers quote 7110MD 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 7110MD

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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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