C880-2520 Screening compound: 2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound C880-2520
2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]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
C880-2520
Molecular Formula
C28H32FN5O2 (C28 H32 FN5 O2)
Compound Name
2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
IUPAC name
2-{5-[(2-fluorophenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILES
CC1N(CCCNC(CN(C2=O)N=Cc3c2n(Cc(cccc2)c2F)c2c3cccc2)=O)CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
489.59
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.424
Distribution Coefficient, logD
0.518
Water Solubility, LogSw
-3.56
Polar Surface Area
56.818
Acid Dissociation Constant (pKa)
16.11
Base Dissociation Constant (pKb)
10.31
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
39.30
C880-2520 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
Regenerative Medicine Focused Library (23016 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with C880-2520 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)