F594-1013 Screening compound: 4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-1013 Screening compound: 4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-1013 Screening compound: 4-bromo-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-1013
4-bromo-N-[(3-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

F594-1013

Molecular Formula

C22H26BrN3O2 (C22 H26 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(CCC(N2CCNCC2)=O)C(c(cc2)ccc2Br)=O)c1

InChI

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

InChI Key

PSPLMJIJUPEVAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178346

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

2.588

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.83

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

References: we are preparing a list of scientific research reports with F594-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-1013?
Check Price and Availability of F594-1013, 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 F594-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-1013
  • 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 F594-1013 available by request