E611-0116 Screening compound: ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound E611-0116
ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
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
E611-0116
Molecular Formula
C23H27ClN6O4 (C23 H27 ClN6 O4)
Compound Name
ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC name
ethyl 6-{[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate
SMILES
CCOC(C(C(c(cc1)ccc1OC)N1)=C(CN(CC2)CCN2c(cc2)nnc2Cl)NC1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
486.96
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.783
Distribution Coefficient, logD
1.783
Water Solubility, LogSw
-2.85
Polar Surface Area
92.662
Acid Dissociation Constant (pKa)
6.55
Base Dissociation Constant (pKb)
9.48
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
39.10
E611-0116 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
- 3D
- Fragments
- Agro
References: we are preparing a list of scientific research reports with E611-0116 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)