F594-0168 Screening compound: 4-bromo-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0168 Screening compound: 4-bromo-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0168 Screening compound: 4-bromo-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0168
4-bromo-N-[(4-methylphenyl)methyl]-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

F594-0168

Molecular Formula

C22H26BrN3O2 (C22 H26 BrN3 O2)

Compound Name

4-bromo-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

4-bromo-N-[(4-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

Cc1ccc(CN(CCC(N2CCNCC2)=O)C(c(cc2)ccc2Br)=O)cc1

InChI

InChI=1S/C22H26BrN3O2/c1-17-2-4-18(5-3-17)16-26(22(28)19-6-8-20(23)9-7-19)13-10-21(27)25-14-11-24-12-15-25/h2-9,24H,10-16H2,1H3

InChI Key

KZZAMDKXZDRPQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177888

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

444.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-2.69

Polar Surface Area

44.509

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F594-0168 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F594-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0168?
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What is the minimum amount of F594-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0168
  • 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 F594-0168 available by request