F594-0400 Screening compound: 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide

F594-0400 Screening compound: 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide
F594-0400 Screening compound: 3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0400
3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide

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

F594-0400

Molecular Formula

C19H27F2N3O2 (C19 H27 F2 N3 O2)

Compound Name

3,4-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide

IUPAC name

34-difluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-pentylbenzamide

SMILES

CCCCCN(CCC(N1CCNCC1)=O)C(c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C19H27F2N3O2/c1-2-3-4-10-24(11-7-18(25)23-12-8-22-9-13-23)19(26)15-5-6-16(20)17(21)14-15/h5-6,14,22H,2-4,7-13H2,1H3

InChI Key

PXYKGQGOJQNWFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178012

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-2.60

Polar Surface Area

44.759

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

F594-0400 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F594-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0400?
Check Price and Availability of F594-0400, 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 F594-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0400
  • 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 F594-0400 available by request