7745-1497 Screening compound: diethyl[2-({8-fluoro-5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine
Chemical Structure Depiction of ChemDiv screening compound 7745-1497
diethyl[2-({8-fluoro-5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine
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
7745-1497
Molecular Formula
C18H24FN5S (C18 H24 FN5 S)
Compound Name
diethyl[2-({8-fluoro-5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)ethyl]amine
IUPAC name
diethyl[2-({8-fluoro-5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)ethyl]amine
SMILES
CCCn1c2nc(SCCN(CC)CC)nnc2c2c1ccc(F)c2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.49
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.975
Distribution Coefficient, logD
1.936
Water Solubility, LogSw
-3.89
Polar Surface Area
36.639
Acid Dissociation Constant (pKa)
23.11
Base Dissociation Constant (pKb)
9.44
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
7745-1497 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Antiviral Library (67538 compounds)
CNS BBB Library (22607 compounds)
DGK Inhibitors Library (10558 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Nervous system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Agro
References: we are preparing a list of scientific research reports with 7745-1497 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)