F862-0484 Screening compound: ETHYL 2,4-DIMETHYL-5-(4-{1-OXO-1-[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]PROPAN-2-YL}PIPERIDINE-1-CARBONYL)-1H-PYRROLE-3-CARBOXYLATE
Chemical Structure Depiction of ChemDiv screening compound F862-0484
ETHYL 2,4-DIMETHYL-5-(4-{1-OXO-1-[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]PROPAN-2-YL}PIPERIDINE-1-CARBONYL)-1H-PYRROLE-3-CARBOXYLATE
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
F862-0484
Molecular Formula
C27H37N5O4 (C27 H37 N5 O4)
Compound Name
ETHYL 2,4-DIMETHYL-5-(4-{1-OXO-1-[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]PROPAN-2-YL}PIPERIDINE-1-CARBONYL)-1H-PYRROLE-3-CARBOXYLATE
IUPAC name
ethyl 24-dimethyl-5-(4-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
SMILES
CCOC(c1c(C)[nH]c(C(N(CC2)CCC2C(C)C(N(CC2)CCN2c2ncccc2)=O)=O)c1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
495.62
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.981
Distribution Coefficient, logD
2.972
Water Solubility, LogSw
-2.97
Polar Surface Area
77.042
Acid Dissociation Constant (pKa)
13.43
Base Dissociation Constant (pKb)
5.71
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
55.60
F862-0484 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with F862-0484 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)