CompoundList
Sign in
Screening compounds

Sceptrin

Also known as N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide, N-(((1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-(((4-bromo-1H-pyrrole-2-carbonyl)amino)methyl)cyclobutyl)methyl)-4-bromo-1H-pyrrole-2-carboxamide, Sceptrine

CAS 79638-16-7Formula C22H24Br2N10O2Molar mass 620.31 g/mol
Get quotes Safety data
Sceptrin chemical structure, C22H24Br2N10O2, CAS 79638-16-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79638-16-7
Formula
C22H24Br2N10O2
Molar mass
620.31 g/mol
HS code
293329
Category
Screening compounds

What is Sceptrin?

Plain description, key identifiers and synonyms

Sceptrin is a secondary carboxamide and a member of pyrroles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
CAS number
79638-16-7 CAS number cross-checkedOther or deprecated CAS: 79703-25-6
Molecular formula
C22H24Br2N10O2
UNII
K5NTW7L834
InChIKey
YPZNLFZLPZWWAD-GWIYSAMLSA-N
InChI
InChI=1S/C22H24Br2N10O2/c23-9-1-13(27-3-9)19(35)29-5-11-12(6-30-20(36)14-2-10(24)4-28-14)18(16-8-32-22(26)34-16)17(11)15-7-31-21(25)33-15/h1-4,7-8,11-12,17-18,27-28H,5-6H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t11-,12-,17-,18-/m1/s1
Canonical SMILES
Nc1ncc(C2C(CNC(=O)c3cc(Br)c[nH]3)C(CNC(=O)c3cc(Br)c[nH]3)C2c2cnc(N)[nH]2)[nH]1
Isomeric SMILES
C1=C(NC=C1Br)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br

Synonyms

  • N-[[(1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
  • N-(((1R,2S,3S,4R)-2,3-bis(2-amino-1H-imidazol-5-yl)-4-(((4-bromo-1H-pyrrole-2-carbonyl)amino)methyl)cyclobutyl)methyl)-4-bromo-1H-pyrrole-2-carboxamide
  • Sceptrine
  • Sceptrin base
  • 1H-Pyrrole-2-carboxamide, N,N'-[[(1R,2R,3S,4S)-3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-
  • 1H-Pyrrole-2-carboxamide, N,N'-[[3,4-bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-, [1R-(1alpha,2beta,3alpha,4beta)]-
  • N,N'-[[(1R,2R,3S,4S)-3,4-Bis(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo-1H-pyrrole-2-carboxamide]
  • N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-1H-imidazol-5-yl)cyclobutane-1,2-diyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide)

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
620.31 g/molcalc.
Exact mass
618.045 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
199.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
4calc.
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(NCC1C(CNC(=O)c2ccc[nH]2)C(c2cnc[nH]2)C1c1cnc[nH]1)c1ccc[nH]1

O=C(NCC1C(CNC(=O)c2ccc[nH]2)C(c2cnc[nH]2)C1c1cnc[nH]1)c1ccc[nH]1

5 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.

Sceptrin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Sceptrin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Sceptrin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Sceptrin is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Sceptrin?

Sceptrin is a secondary carboxamide and a member of pyrroles.

What is the CAS number of Sceptrin?

The CAS registry number of Sceptrin is 79638-16-7. Other or deprecated CAS numbers: 79703-25-6.

What is the molecular formula and weight of Sceptrin?

The molecular formula of Sceptrin is C22H24Br2N10O2 and its molar mass is 620.31 g/mol.

What is Sceptrin used for?

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

Is Sceptrin hazardous?

No GHS hazard classification for Sceptrin 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 Sceptrin?

Sceptrin is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sceptrin?

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

What is the price of Sceptrin?

Suppliers quote Sceptrin 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 Sceptrin

Get quotes for Sceptrin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Sceptrin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Sceptrin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/sceptrin-79638-16-7" title="Sceptrin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293329

Price on request
Free quotes, contact stays private
Get quotes