C884-1644 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
Chemical Structure Depiction of ChemDiv screening compound C884-1644
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
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
C884-1644
Molecular Formula
C27H32N4O4 (C27 H32 N4 O4)
Compound Name
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{3-methyl-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-5-yl}butanamide
IUPAC name
N-[2-(34-diethoxyphenyl)ethyl]-2-{3-methyl-4-oxo-3H4H5H-pyridazino[45-b]indol-5-yl}butanamide
SMILES
CCC(C(NCCc(cc1)cc(OCC)c1OCC)=O)n1c(C(N(C)N=C2)=O)c2c2c1cccc2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.58
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.853
Distribution Coefficient, logD
2.853
Water Solubility, LogSw
-3.21
Polar Surface Area
68.249
Acid Dissociation Constant (pKa)
13.88
Base Dissociation Constant (pKb)
3.78
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
37.00
C884-1644 in Drug Discovery
Included in Screening Libraries
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Neuropeptide S Library (2850 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Mimetics
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Digestive system
- Nervous system
- GPCR
References: we are preparing a list of scientific research reports with C884-1644 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)