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Screening compounds

Fkb-001

Also known as 1-[2,2-Difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester, (S)-4-phenyl-1-[3-(3-pyridyl)propyl]butyl N-[difluoro(3,4,5-trimethoxy)acetyl]-L-pipecolate, (4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate

CAS 251909-04-3Formula C35H42F2N2O6Molar mass 624.73 g/mol
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Fkb-001 chemical structure, C35H42F2N2O6, CAS 251909-04-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
251909-04-3
Formula
C35H42F2N2O6
Molar mass
624.73 g/mol
HS code
293339
Category
Screening compounds

What is Fkb-001?

Plain description, key identifiers and synonyms

Fkb-001 is an organofluorine compound. It is functionally related to a L-pipecolate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4S)-1-phenyl-7-pyridin-3-ylheptan-4-yl] (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
CAS number
251909-04-3
Molecular formula
C35H42F2N2O6
InChIKey
NBYCDVVSYOMFMS-VMPREFPWSA-N
InChI
InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1
Canonical SMILES
COc1cc(C(F)(F)C(=O)N2CCCCC2C(=O)OC(CCCc2ccccc2)CCCc2cccnc2)cc(OC)c1OC
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCC3=CC=CC=C3)CCCC4=CN=CC=C4)(F)F

Synonyms

  • 1-[2,2-Difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
  • (S)-4-phenyl-1-[3-(3-pyridyl)propyl]butyl N-[difluoro(3,4,5-trimethoxy)acetyl]-L-pipecolate
  • (4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • (4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-(difluoro(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxylate
  • (S)-4-phenyl-1-(3-(3-pyridyl)propyl)butyl N-(difluoro(3,4,5-trimethoxy)acetyl)-L-pipecolate
  • 1-(2,2-Difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
  • [(4S)-1-phenyl-7-pyridin-3-ylheptan-4-yl] (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • (1S)-4-phenyl-1-(3-pyridin-3-ylpropyl)butyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
  • 1j4r
  • 4-Phenyl-1-(3-pyridin-3-yl-propyl)-butyl ester
  • 1-[2,2-Difluoro-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid
  • (1S)-1-(3-Phenylpropyl)-4-(3-pyridinyl)butyl (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate

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
624.73 g/molcalc.
Exact mass
624.3011 Dacalc.
LogP (octanol/water)
6.54calc.
Topological polar surface area
87.19 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
15calc.
Heavy atoms
45calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 violations)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(OC(CCCc1ccccc1)CCCc1cccnc1)C1CCCCN1C(=O)Cc1ccccc1

O=C(OC(CCCc1ccccc1)CCCc1cccnc1)C1CCCCN1C(=O)Cc1ccccc1

4 rings, 37 atoms.

1 other chemical 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.

Fkb-001 suppliers

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Fkb-001 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 Fkb-001 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 Fkb-001 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Fkb-001, based on the data on this page

What is Fkb-001?

Fkb-001 is an organofluorine compound. It is functionally related to a L-pipecolate ester.

What is the CAS number of Fkb-001?

The CAS registry number of Fkb-001 is 251909-04-3.

What is the molecular formula and weight of Fkb-001?

The molecular formula of Fkb-001 is C35H42F2N2O6 and its molar mass is 624.73 g/mol.

What is Fkb-001 used for?

Known uses and roles of Fkb-001 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Fkb-001 hazardous?

No GHS hazard classification for Fkb-001 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 Fkb-001?

Fkb-001 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 Fkb-001?

Post a free request on CompoundList and suppliers of Fkb-001 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Fkb-001?

Suppliers quote Fkb-001 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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