5518-1710 Screening compound: 3-amino-N~2~-(3-chloro-4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 5518-1710
3-amino-N~2~-(3-chloro-4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
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
5518-1710
Molecular Formula
C21H22ClN3O2S (C21 H22 ClN3 O2 S)
Compound Name
3-amino-N~2~-(3-chloro-4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
IUPAC name
6-amino-N-(3-chloro-4-methoxyphenyl)-4-thia-2-azatricyclo[7.6.0.0^{37}]pentadeca-13(7)58-tetraene-5-carboxamide
SMILES
COc(ccc(NC(c(sc1c2cc(CCCCCC3)c3n1)c2N)=O)c1)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.94
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.563
Distribution Coefficient, logD
5.561
Water Solubility, LogSw
-5.83
Polar Surface Area
61.819
Acid Dissociation Constant (pKa)
10.13
Base Dissociation Constant (pKb)
4.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
5518-1710 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS targets activity set (6557 compounds)
Human GPCR Annotated Library (5539 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 5518-1710 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)