C507-0065 Screening compound: 3-(3-chloro-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C507-0065
3-(3-chloro-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-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
C507-0065
Molecular Formula
C25H28ClN5O3 (C25 H28 ClN5 O3)
Compound Name
3-(3-chloro-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indole-1-carboxamide
IUPAC name
3-(3-chloro-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H4H5H-pyridazino[45-b]indole-1-carboxamide
SMILES
CCN(CC)CCNC(C(c1c2n(C)c3c1cccc3)=NN(c(cc1)cc(Cl)c1OC)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
481.98
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.380
Distribution Coefficient, logD
1.972
Water Solubility, LogSw
-4.07
Polar Surface Area
63.539
Acid Dissociation Constant (pKa)
12.89
Base Dissociation Constant (pKb)
8.79
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
32.00
C507-0065 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with C507-0065 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)