Screening compound: InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3
Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
K891-0416
Molecular Formula
C21H21ClN2O2S (C21 H21 ClN2 O2 S)
Compound Name
ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
IUPAC name
ethyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraene-5-carboxylate
SMILES
CCOC(c(sc1c2c(-c(cc3)ccc3Cl)c(CCCCC3)c3n1)c2N)=O
InChI Key
MDL Number (MFCD)
InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)