C880-2338 Screening compound: N-[3-(dipropylamino)propyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
Chemical Structure Depiction of ChemDiv screening compound C880-2338
N-[3-(dipropylamino)propyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
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
C880-2338
Molecular Formula
C28H34FN5O2 (C28 H34 FN5 O2)
Compound Name
N-[3-(dipropylamino)propyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}acetamide
IUPAC name
N-[3-(dipropylamino)propyl]-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}acetamide
SMILES
CCCN(CCC)CCCNC(CN(C1=O)N=Cc2c1n(Cc(cc1)ccc1F)c1c2cccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
491.61
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.830
Distribution Coefficient, logD
1.013
Water Solubility, LogSw
-3.77
Polar Surface Area
57.575
Acid Dissociation Constant (pKa)
16.11
Base Dissociation Constant (pKb)
10.22
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
39.30
C880-2338 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
Antiviral Library (67538 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Antiviral
- Infections
- Immune system
- PPI modulators
References: we are preparing a list of scientific research reports with C880-2338 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)