E146-1299 Screening compound: 1-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1H,4H-chromeno[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E146-1299
1-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1H,4H-chromeno[4,3-c]pyrazole-3-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
E146-1299
Molecular Formula
C23H25N5O2 (C23 H25 N5 O2)
Compound Name
1-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1H,4H-chromeno[4,3-c]pyrazole-3-carboxamide
IUPAC name
1-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1H4H-chromeno[43-c]pyrazole-3-carboxamide
SMILES
Cn1nc(C(Nc(cccc2)c2N2CCN(C)CC2)=O)c2c1-c(cccc1)c1OC2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
403.48
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.707
Distribution Coefficient, logD
2.232
Water Solubility, LogSw
-3.57
Polar Surface Area
52.032
Acid Dissociation Constant (pKa)
8.94
Base Dissociation Constant (pKb)
7.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.40
E146-1299 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Immune system
- GPCR
- Receptor's ligands
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with E146-1299 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)