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Screening compounds

Nesvategrast

Also known as SF-0166 free acid, (S)-3-(6-(Difluoromethoxy)pyridin-3-yl)-3-(oxo-2-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoate, (3S)-3-[6-(difluoromethoxy)pyridin-3-yl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid

CAS 1621332-91-9Formula C23H27F2N5O4Molar mass 475.50 g/mol
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Nesvategrast chemical structure, C23H27F2N5O4, CAS 1621332-91-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1621332-91-9
Formula
C23H27F2N5O4
Molar mass
475.50 g/mol
HS code
293339
Category
Screening compounds

What is Nesvategrast?

Plain description, key identifiers and synonyms

Nesvategrast is a chemical substance with the molecular formula C23H27F2N5O4 and a molar mass of 475.50 g/mol. Its CAS registry number is 1621332-91-9. The IUPAC name is (3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
CAS number
1621332-91-9
Molecular formula
C23H27F2N5O4
UNII
49958O183Z
InChIKey
IGUVQCZYMKVWFL-SFHVURJKSA-N
InChI
InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1
Canonical SMILES
O=C(O)CC(c1ccc(OC(F)F)nc1)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
Isomeric SMILES
C1CC2=C(NC1)N=C(C=C2)CCCN3CCN(C3=O)[C@@H](CC(=O)O)C4=CN=C(C=C4)OC(F)F

Synonyms

  • SF-0166 free acid
  • (S)-3-(6-(Difluoromethoxy)pyridin-3-yl)-3-(oxo-2-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoate
  • (3S)-3-[6-(difluoromethoxy)pyridin-3-yl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
  • US11685738, Compound A1
  • (3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
  • (betaS)-6-(Difluoromethoxy)-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid
  • (S)-3-(6-(difluoromethoxy)pyridin-3-yl)-3-(2-oxo-3-(3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
  • (S)-3-(6-(Difluoromethoxy)pyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid
  • 3-Pyridinepropanoic acid, 6-(difluoromethoxy)-beta-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-, (betaS)-

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
475.50 g/molcalc.
Exact mass
475.2031 Dacalc.
LogP (octanol/water)
3.32calc.
Topological polar surface area
107.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
10calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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=C1N(CCCc2ccc3c(n2)NCCC3)CCN1Cc1cccnc1

O=C1N(CCCc2ccc3c(n2)NCCC3)CCN1Cc1cccnc1

4 rings, 26 atoms.

2 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.

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

Frequently asked questions

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

What is Nesvategrast?

Nesvategrast is a chemical substance with the molecular formula C23H27F2N5O4 and a molar mass of 475.50 g/mol. Its CAS registry number is 1621332-91-9. The IUPAC name is (3S)-3-[6-(difluoromethoxy)-3-pyridinyl]-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

What is the CAS number of Nesvategrast?

The CAS registry number of Nesvategrast is 1621332-91-9.

What is the molecular formula and weight of Nesvategrast?

The molecular formula of Nesvategrast is C23H27F2N5O4 and its molar mass is 475.50 g/mol.

What is Nesvategrast used for?

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

Is Nesvategrast hazardous?

No GHS hazard classification for Nesvategrast 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 Nesvategrast?

Nesvategrast 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 Nesvategrast?

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

What is the price of Nesvategrast?

Suppliers quote Nesvategrast 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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