F862-0071 Screening compound: ethyl 2,4-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

F862-0071 Screening compound: ethyl 2,4-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
F862-0071 Screening compound: ethyl 2,4-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F862-0071
ethyl 2,4-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}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

F862-0071

Molecular Formula

C26H35N5O4 (C26 H35 N5 O4)

Compound Name

ethyl 2,4-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 24-dimethyl-5-(4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C(N2CCC(CC(N(CC3)CCN3c3ncccc3)=O)CC2)=O)c1C)=O

InChI

InChI=1S/C26H35N5O4/c1-4-35-26(34)23-18(2)24(28-19(23)3)25(33)31-11-8-20(9-12-31)17-22(32)30-15-13-29(14-16-30)21-7-5-6-10-27-21/h5-7,10,20,28H,4,8-9,11-17H2,1-3H3

InChI Key

UHKDIGQOFXMNHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27200257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.6

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

2.900

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.04

Polar Surface Area

76.514

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

F862-0071 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F862-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F862-0071?
Check Price and Availability of F862-0071, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F862-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F862-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F862-0071
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F862-0071 available by request