C507-0051 Screening compound: 3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of ChemDiv screening compound C507-0051
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one
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
C507-0051
Molecular Formula
C28H23ClN4O3 (C28 H23 ClN4 O3)
Compound Name
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-3H,4H,5H-pyridazino[4,5-b]indol-4-one
IUPAC name
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(1234-tetrahydroquinoline-1-carbonyl)-3H4H5H-pyridazino[45-b]indol-4-one
SMILES
Cn(c1c2cccc1)c1c2C(C(N(CCC2)c3c2cccc3)=O)=NN(c(cc2)cc(Cl)c2OC)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
498.97
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.017
Distribution Coefficient, logD
5.017
Water Solubility, LogSw
-5.39
Polar Surface Area
50.914
Acid Dissociation Constant (pKa)
26.00
Base Dissociation Constant (pKb)
2.19
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.90
C507-0051 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
DGK Inhibitors Library (10558 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Agro
References: we are preparing a list of scientific research reports with C507-0051 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)