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CK 666 - 10mM in DMSO, high purity , CAS No.442633-00-3

COA

Grade & Purity:

10mM in DMSO

Cas Number: 442633-00-3
Molecular Weight: 296.34
PubChem CID: 589075

In stock

Item Number

C424000

Grouped product items
SKU	Size	Availability	Price	Qty
C424000-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90

Potent inhibitor of actin polymerization

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Compound libraries (12325) Virus (1811)

Basic Description

Synonyms	442633-00-3 \| 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide \| CK-666 \| CK 666 \| CK-0944666 \| 2-Fluoro-N-(2-(2-methyl-1H-indol-3-yl)ethyl)benzamide \| 3ukr \| UXRKUKRXVWJFER-UHFFFAOYSA-N \| Oprea1_850670 \| SCHEMBL3382638 \| CHEBI:78843 \| DTXSID70343330 \| 2-Fluoro-N-[2-(2-meth
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Potent inhibitor of actin polymerization. Inhibits the Arp2/3 (IC 50 = 17 μM), SpArp2/3 (IC 50 = 5 μM) and HsArp2/3 complexes (IC 50 = 4 μM) by preventing a shift into an active conformation.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	3-alkylindoles
Alternative Parents	2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous halide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors	organofluorine compound - indoles - benzamides
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
INCHI	InChI=1S/C18H17FN2O/c1-12-13(14-6-3-5-9-17(14)21-12)10-11-20-18(22)15-7-2-4-8-16(15)19/h2-9,21H,10-11H2,1H3,(H,20,22)
InChIKey	UXRKUKRXVWJFER-UHFFFAOYSA-N
Smiles	CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F
Isomeric SMILES	CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=CC=CC=C3F
Molecular Weight	296.34
Reaxy-Rn	19720234
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19720234&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	296.300 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	296.132 Da
Monoisotopic Mass	296.132 Da
Topological Polar Surface Area	44.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	389.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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