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Screening compounds

Orb1739736

Also known as US10968172, ID # 4d, (?S)-?-[(Cyclopropylcarbonyl)amino]-N-[5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-naphthalenyl]benzenepropanamide, (S)-N-(1-((5-(N-(tert- butyl)sulfamoyl)naphthalen-1- yl)amino)-1-oxo-3-phenylpropan- 2-yl)cyclopropanecarboxamide

CAS 2241021-89-4Formula C27H31N3O4SMolar mass 493.63 g/mol
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Orb1739736 chemical structure, C27H31N3O4S, CAS 2241021-89-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2241021-89-4
Formula
C27H31N3O4S
Molar mass
493.63 g/mol
HS code
293590
Category
Screening compounds

What is Orb1739736?

Plain description, key identifiers and synonyms

Orb1739736 is a chemical substance with the molecular formula C27H31N3O4S and a molar mass of 493.63 g/mol. Its CAS registry number is 2241021-89-4. The IUPAC name is N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CAS number
2241021-89-4
Molecular formula
C27H31N3O4S
InChIKey
JSNVUWHDPLJARW-QHCPKHFHSA-N
InChI
InChI=1S/C27H31N3O4S/c1-27(2,3)30-35(33,34)24-14-8-11-20-21(24)12-7-13-22(20)28-26(32)23(29-25(31)19-15-16-19)17-18-9-5-4-6-10-18/h4-14,19,23,30H,15-17H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1
Canonical SMILES
CC(C)(C)NS(=O)(=O)c1cccc2c(NC(=O)C(Cc3ccccc3)NC(=O)C3CC3)cccc12
Isomeric SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4CC4

Synonyms

  • US10968172, ID # 4d
  • (?S)-?-[(Cyclopropylcarbonyl)amino]-N-[5-[[(1,1-dimethylethyl)amino]sulfonyl]-1-naphthalenyl]benzenepropanamide
  • (S)-N-(1-((5-(N-(tert- butyl)sulfamoyl)naphthalen-1- yl)amino)-1-oxo-3-phenylpropan- 2-yl)cyclopropanecarboxamide
  • N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide

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
493.63 g/molcalc.
Exact mass
493.2035 Dacalc.
LogP (octanol/water)
3.99calc.
Topological polar surface area
104.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
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=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ccccc12)C1CC1

O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ccccc12)C1CC1

4 rings, 27 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.

Orb1739736 suppliers

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Orb1739736 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 Orb1739736 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1739736 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1739736, based on the data on this page

What is Orb1739736?

Orb1739736 is a chemical substance with the molecular formula C27H31N3O4S and a molar mass of 493.63 g/mol. Its CAS registry number is 2241021-89-4. The IUPAC name is N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.

What is the CAS number of Orb1739736?

The CAS registry number of Orb1739736 is 2241021-89-4.

What is the molecular formula and weight of Orb1739736?

The molecular formula of Orb1739736 is C27H31N3O4S and its molar mass is 493.63 g/mol.

What is Orb1739736 used for?

Known uses and roles of Orb1739736 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1739736 hazardous?

No GHS hazard classification for Orb1739736 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 Orb1739736?

Orb1739736 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1739736?

Post a free request on CompoundList and suppliers of Orb1739736 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1739736?

Suppliers quote Orb1739736 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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