F594-0857 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

F594-0857 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide
F594-0857 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0857
4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

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

F594-0857

Molecular Formula

C21H31BrN4O2 (C21 H31 BrN4 O2)

Compound Name

4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

IUPAC name

4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[2-(piperidin-1-yl)ethyl]benzamide

SMILES

O=C(CCN(CCN1CCCCC1)C(c(cc1)ccc1Br)=O)N1CCNCC1

InChI

InChI=1S/C21H31BrN4O2/c22-19-6-4-18(5-7-19)21(28)26(17-16-24-11-2-1-3-12-24)13-8-20(27)25-14-9-23-10-15-25/h4-7,23H,1-3,8-17H2

InChI Key

SHBLTJVFFPSVEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178299

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

451.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.208

Distribution Coefficient, logD

0.380

Water Solubility, LogSw

-1.81

Polar Surface Area

48.470

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

F594-0857 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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 F594-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0857?
Check Price and Availability of F594-0857, 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 F594-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0857
  • 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 F594-0857 available by request