N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
Basic information
- CAS
442632-72-6- Standard SMILES
Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1- InChIKey
ACAKNPKRLPMONU-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.09833431
Names & identifiers
- Preferred name
- N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
- IUPAC
- N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
- English name
- CK-636
- Molecular formula
- C16H16N2OS
- Molecular weight
- 284.38
Names & synonyms
CK-636442632-72-6N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamideN-(2-(2-methyl-1H-indol-3-yl)ethyl)thiophene-2-carboxamide82XC8RSD8VN-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide2-Thiophenecarboxamide, N-(2-(2-methyl-1H-indol-3-yl)ethyl)-N-[2-(2-methylindol-3-yl)ethyl]-2-thienylcarboxamide2-Thiophenecarboxamide, N-[2-(2-methyl-1H-indol-3-yl)ethyl]-RefChem:824688663-254-7MFCD03036245
Show more names
CS-1421CK-636, >=98%CK-636 USP/EP/BPCK-636(CK-0944636CK636CK 636CK-636, 10 mM in DMSOCK-636,CK-0944636, >98%CK636CK 636CK0944636CK 0944636
CK-0944636SCHEMBL3612821N-[2-(2-Methyl-1H-indol-3-yl)ethyl]-2-thiophenecarboxamideSTL575917DB08235HY-15892Sulfisomidi3dxk
Database identifiers
- CAS
442632-72-6- PubChem CID
- 588963
- ChEMBL
CHEMBL1234574- UNII
- 82XC8RSD8V
- EC Number
- 663-254-7
- Nikkaji
- J2.741.583K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- 20 mg/mL · DMSO: ≥20mg/mL
- form
- powder
- color
- peach to light tan
- InChI
- 1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
- InChIKey
- ACAKNPKRLPMONU-UHFFFAOYSA-N
- SMILES
- Cc1[nH]c2ccccc2c1CCNC(=O)c3cccs3
- CAS DataBase Reference
- 442632 · 442632-72-6
- FDA UNII
- 82 XC8RSD8V · 82XC8RSD8V
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280
Chemistry & industry
Applications
DescriptionCK-636 is an Arp2/3 complex inhibitor with IC50 of 4 μM, 24 μM and 32 μM for inhibition of actin polymerization induced by human, fission yeast and bovine Arp2/3 complex, respectively.
UsesCK-636 is a small molecule that inhibits Actin-related protein 2/3 (Arp2/3) (1). Arp2/3 is a 7 subunits protein complex that regulates actin cytoskeleton (2). CK-636 interacts with Arp2/3 and prevents actin polymerization.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…