6583-0099 Screening compound: N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N,N-dipropylamine
Chemical Structure Depiction of ChemDiv screening compound 6583-0099
N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N,N-dipropylamine
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
6583-0099
Molecular Formula
C22H30N6OS (C22 H30 N6 OS)
Compound Name
N-(5-morpholino-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N,N-dipropylamine
IUPAC name
8-(morpholin-4-yl)-NN-dipropyl-11-thia-9141516-tetraazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-17912(17)1315-hexaen-13-amine
SMILES
CCCN(CCC)c1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nnn1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
426.59
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.376
Distribution Coefficient, logD
5.375
Water Solubility, LogSw
-5.35
Polar Surface Area
59.720
Acid Dissociation Constant (pKa)
20.73
Base Dissociation Constant (pKb)
10.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
63.64
6583-0099 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with 6583-0099 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)