M576-0227 Screening compound: 4-(4-chlorophenyl)-1-ethyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound M576-0227
4-(4-chlorophenyl)-1-ethyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-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
M576-0227
Molecular Formula
C19H18ClN3O (C19 H18 ClN3 O)
Compound Name
4-(4-chlorophenyl)-1-ethyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
IUPAC name
4-(4-chlorophenyl)-1-ethyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILES
CCn1c(C(NCc2ccncc2)=O)cc(-c(cc2)ccc2Cl)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.82
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.435
Distribution Coefficient, logD
3.431
Water Solubility, LogSw
-3.94
Polar Surface Area
35.287
Acid Dissociation Constant (pKa)
13.33
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.80
M576-0227 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
SmartTM Library (51161 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Nervous system
- Cardiovascular
- Epigenetic
- Epigenetic
- Ion Channels
References: we are preparing a list of scientific research reports with M576-0227 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)