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Screening compounds

Ceclazepide

Also known as TR2-a, (R)-1-(1-(4-Acetoxy-3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo(E)(1,4)diazepin-3-yl)-3-(3-methylamino-phenyl)-urea, Urea, N-((3R)-1-(4-(acetyloxy)-3,3-dimethyl-2-oxobutyl)-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)-

CAS 1801749-44-9Formula C30H32N6O5Molar mass 556.62 g/mol
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Ceclazepide chemical structure, C30H32N6O5, CAS 1801749-44-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1801749-44-9
Formula
C30H32N6O5
Molar mass
556.62 g/mol
HS code
293339
Category
Screening compounds

What is Ceclazepide?

Plain description, key identifiers and synonyms

Ceclazepide is a chemical substance with the molecular formula C30H32N6O5 and a molar mass of 556.62 g/mol. Its CAS registry number is 1801749-44-9. The IUPAC name is [2,2-dimethyl-4-[(3R)-3-[[3-(methylamino)phenyl]carbamoylamino]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl]-3-oxobutyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2,2-dimethyl-4-[(3R)-3-[[3-(methylamino)phenyl]carbamoylamino]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl]-3-oxobutyl] acetate
CAS number
1801749-44-9
Molecular formula
C30H32N6O5
UNII
99B5ZR9276
InChIKey
GPEYTRIZYSZRRK-MHZLTWQESA-N
InChI
InChI=1S/C30H32N6O5/c1-19(37)41-18-30(2,3)25(38)17-36-24-14-6-5-12-22(24)26(23-13-7-8-15-32-23)34-27(28(36)39)35-29(40)33-21-11-9-10-20(16-21)31-4/h5-16,27,31H,17-18H2,1-4H3,(H2,33,35,40)/t27-/m0/s1
Canonical SMILES
CNc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)COC(C)=O)C2=O)c1
Isomeric SMILES
CC(=O)OCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4

Synonyms

  • TR2-a
  • (R)-1-(1-(4-Acetoxy-3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo(E)(1,4)diazepin-3-yl)-3-(3-methylamino-phenyl)-urea
  • Urea, N-((3R)-1-(4-(acetyloxy)-3,3-dimethyl-2-oxobutyl)-2,3-dihydro-2-oxo-5-(2-pyridinyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)-
  • ceclazepida
  • ceclazepidum
  • (R)-1-[1-(4-acetoxy-3,3-dimethyl-2-oxo-butyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-methylamino-phenyl)-urea
  • [2,2-dimethyl-4-[(3R)-3-[[3-(methylamino)phenyl]carbamoylamino]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl]-3-oxobutyl] acetate
  • (R)-2,2-dimethyl-4-(3-(3-(3-(methylamino)phenyl)ureido)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)-3-oxobutyl acetate

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
556.62 g/molcalc.
Exact mass
556.2434 Dacalc.
LogP (octanol/water)
3.61calc.
Topological polar surface area
142.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
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, O=C(Nc1ccccc1)NC1N=C(c2ccccn2)c2ccccc2NC1=O

O=C(Nc1ccccc1)NC1N=C(c2ccccn2)c2ccccc2NC1=O

4 rings, 28 atoms.

6 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.

Ceclazepide suppliers

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

Frequently asked questions

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

What is Ceclazepide?

Ceclazepide is a chemical substance with the molecular formula C30H32N6O5 and a molar mass of 556.62 g/mol. Its CAS registry number is 1801749-44-9. The IUPAC name is [2,2-dimethyl-4-[(3R)-3-[[3-(methylamino)phenyl]carbamoylamino]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl]-3-oxobutyl] acetate.

What is the CAS number of Ceclazepide?

The CAS registry number of Ceclazepide is 1801749-44-9.

What is the molecular formula and weight of Ceclazepide?

The molecular formula of Ceclazepide is C30H32N6O5 and its molar mass is 556.62 g/mol.

What is Ceclazepide used for?

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

Is Ceclazepide hazardous?

No GHS hazard classification for Ceclazepide 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 Ceclazepide?

Ceclazepide 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 Ceclazepide?

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What is the price of Ceclazepide?

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

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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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