F594-0996 Screening compound: N-[(3-chlorophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0996 Screening compound: N-[(3-chlorophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0996 Screening compound: N-[(3-chlorophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0996
N-[(3-chlorophenyl)methyl]-4-cyano-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

F594-0996

Molecular Formula

C22H23ClN4O2 (C22 H23 ClN4 O2)

Compound Name

N-[(3-chlorophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

N-[(3-chlorophenyl)methyl]-4-cyano-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

N#Cc(cc1)ccc1C(N(CCC(N1CCNCC1)=O)Cc1cccc(Cl)c1)=O

InChI

InChI=1S/C22H23ClN4O2/c23-20-3-1-2-18(14-20)16-27(11-8-21(28)26-12-9-25-10-13-26)22(29)19-6-4-17(15-24)5-7-19/h1-7,14,25H,8-13,16H2

InChI Key

JOYQGWWDHGZAIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178335

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

410.9

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

1.418

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-2.62

Polar Surface Area

61.566

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

F594-0996 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F594-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0996?
Check Price and Availability of F594-0996, 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 F594-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0996
  • 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 F594-0996 available by request