3802-0334 Screening compound: 2-[(2Z)-2-[(4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-phenylpropanoic acid
Chemical Structure Depiction of ChemDiv screening compound 3802-0334
2-[(2Z)-2-[(4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-phenylpropanoic acid
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
3802-0334
Molecular Formula
C26H23N3O7 (C26 H23 N3 O7)
Compound Name
2-[(2Z)-2-[(4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-phenylpropanoic acid
IUPAC name
2-[(2Z)-2-[(4-methoxyphenyl)formamido]-3-(4-nitrophenyl)prop-2-enamido]-3-phenylpropanoic acid
SMILES
COc(cc1)ccc1C(N/C(/C(NC(Cc1ccccc1)C(O)=O)=O)=C\c(cc1)ccc1[N+]([O-])=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
489.48
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.559
Distribution Coefficient, logD
-0.780
Water Solubility, LogSw
-2.90
Polar Surface Area
115.540
Acid Dissociation Constant (pKa)
4.06
Base Dissociation Constant (pKb)
3.68
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
11.50
3802-0334 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with 3802-0334 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)