E646-3646 Screening compound: N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E646-3646
N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-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
E646-3646
Molecular Formula
C21H24FN3O5S (C21 H24 FN3 O5 S)
Compound Name
N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
IUPAC name
N-[(4-fluorophenyl)methyl]-4-methanesulfonyl-1-(3-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
SMILES
CC(CN(CC1=O)S(C)(=O)=O)(C(NCc(cc2)ccc2F)=O)N1c1cc(OC)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.672
Distribution Coefficient, logD
1.672
Water Solubility, LogSw
-2.65
Polar Surface Area
78.978
Acid Dissociation Constant (pKa)
11.26
Base Dissociation Constant (pKb)
-2.33
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
E646-3646 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
Cyclic Ugi PPI Library (9586 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with E646-3646 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)