2042-3040 Screening compound: (2E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of ChemDiv screening compound 2042-3040
(2E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
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
2042-3040
Molecular Formula
C15H10Cl2N2O3 (C15 H10 Cl2 N2 O3)
Compound Name
(2E)-N-(2,3-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
IUPAC name
(2E)-N-(23-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILES
[O-][N+](c1cccc(/C=C/C(Nc2cccc(Cl)c2Cl)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
337.16
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.909
Distribution Coefficient, logD
4.896
Water Solubility, LogSw
-5.29
Polar Surface Area
55.800
Acid Dissociation Constant (pKa)
8.91
Base Dissociation Constant (pKb)
0.74
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
2042-3040 in Drug Discovery
Included in Screening Libraries
KRAS-Targeted Library (16000 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with 2042-3040 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)