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Heterocyclic building blocks

Scopularide A

Also known as (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-octan-2-yl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone, (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

CAS 1025008-24-5Formula C36H57N5O7Molar mass 671.88 g/mol
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Scopularide A chemical structure, C36H57N5O7, CAS 1025008-24-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1025008-24-5
Formula
C36H57N5O7
Molar mass
671.88 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Scopularide A?

Plain description, key identifiers and synonyms

Scopularide A is a cyclodepsipeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-octan-2-yl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
CAS number
1025008-24-5
Molecular formula
C36H57N5O7
InChIKey
HQEBGENSMXBRMP-YZURKTGCSA-N
InChI
InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24?,25-,27+,28-,29-,32-/m0/s1
Canonical SMILES
CCCCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1
Isomeric SMILES
CCCCCCC(C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC2=CC=CC=C2)C)CC(C)C)C(C)C

Synonyms

  • (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-octan-2-yl-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
  • (3S,6S,9R,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

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
671.88 g/molcalc.
Exact mass
671.4258 Dacalc.
LogP (octanol/water)
2.93calc.
Topological polar surface area
171.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
11calc.
Heavy atoms
48calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CCOC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

O=C1CCOC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

2 rings, 32 atoms.

3 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.

Scopularide A suppliers

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Scopularide A 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 Scopularide A is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Scopularide A, based on the data on this page

What is Scopularide A?

Scopularide A is a cyclodepsipeptide.

What is the CAS number of Scopularide A?

The CAS registry number of Scopularide A is 1025008-24-5.

What is the molecular formula and weight of Scopularide A?

The molecular formula of Scopularide A is C36H57N5O7 and its molar mass is 671.88 g/mol.

What is Scopularide A used for?

Known uses and roles of Scopularide A include building blocks in research and laboratory.

Is Scopularide A hazardous?

No GHS hazard classification for Scopularide A 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 Scopularide A?

Scopularide A is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Scopularide A?

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

What is the price of Scopularide A?

Suppliers quote Scopularide A 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 Scopularide A

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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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