F594-0582 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0582 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0582 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0582
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]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

F594-0582

Molecular Formula

C22H34N4O3 (C22 H34 N4 O3)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

CCN1C(CN(CCC(N2CCNCC2)=O)C(c(cc2)ccc2OC)=O)CCC1

InChI

InChI=1S/C22H34N4O3/c1-3-24-13-4-5-19(24)17-26(14-10-21(27)25-15-11-23-12-16-25)22(28)18-6-8-20(29-2)9-7-18/h6-9,19,23H,3-5,10-17H2,1-2H3/t19-/m1/s1

InChI Key

OWBWOUXLBDTOJZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14960428

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.128

Distribution Coefficient, logD

-0.700

Water Solubility, LogSw

-1.72

Polar Surface Area

55.960

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

F594-0582 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F594-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0582?
Check Price and Availability of F594-0582, 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 F594-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0582
  • 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 F594-0582 available by request