L453-0127 Screening compound: 4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound L453-0127
4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]benzamide
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
L453-0127
Molecular Formula
C23H27ClN6O3 (C23 H27 ClN6 O3)
Compound Name
4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]benzamide
IUPAC name
4-[3-(2-{[(4-chlorophenyl)carbamoyl](methyl)amino}ethyl)-124-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILES
CN(C)CCNC(c(cc1)ccc1-c1nc(CCN(C)C(Nc(cc2)ccc2Cl)=O)no1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
470.96
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.853
Distribution Coefficient, logD
2.014
Water Solubility, LogSw
-3.80
Polar Surface Area
86.248
Acid Dissociation Constant (pKa)
11.69
Base Dissociation Constant (pKb)
8.17
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.40
L453-0127 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Antiviral Library (67538 compounds)
CORONAVIRUS Library (20774 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with L453-0127 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)