8017-0799 Screening compound: ethyl 4-{3-[4-(4-methoxyanilino)piperidino]-2,5-dioxo-1-pyrrolidinyl}benzoate
Chemical Structure Depiction of ChemDiv screening compound 8017-0799
ethyl 4-{3-[4-(4-methoxyanilino)piperidino]-2,5-dioxo-1-pyrrolidinyl}benzoate
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
8017-0799
Molecular Formula
C25H29N3O5 (C25 H29 N3 O5)
Compound Name
ethyl 4-{3-[4-(4-methoxyanilino)piperidino]-2,5-dioxo-1-pyrrolidinyl}benzoate
IUPAC name
ethyl 4-(3-{4-[(4-methoxyphenyl)amino]piperidin-1-yl}-25-dioxopyrrolidin-1-yl)benzoate
SMILES
CCOC(c(cc1)ccc1N(C(CC1N(CC2)CCC2Nc(cc2)ccc2OC)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
451.52
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.825
Distribution Coefficient, logD
2.805
Water Solubility, LogSw
-3.17
Polar Surface Area
70.053
Acid Dissociation Constant (pKa)
17.30
Base Dissociation Constant (pKb)
8.95
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
8017-0799 in Drug Discovery
Included in Screening Libraries
Cysteine Proteases Inhibitors Library (7839 compounds)
Anti-HIV1 Library (19540 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Antiviral
- Infections
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with 8017-0799 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)