F594-0496 Screening compound: 3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

F594-0496 Screening compound: 3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide
F594-0496 Screening compound: 3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0496
3,4,5-trimethoxy-N-[(3-methoxyphenyl)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

F594-0496

Molecular Formula

C25H33N3O6 (C25 H33 N3 O6)

Compound Name

3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

345-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

COc1cccc(CN(CCC(N2CCNCC2)=O)C(c(cc2OC)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C25H33N3O6/c1-31-20-7-5-6-18(14-20)17-28(11-8-23(29)27-12-9-26-10-13-27)25(30)19-15-21(32-2)24(34-4)22(16-19)33-3/h5-7,14-16,26H,8-13,17H2,1-4H3

InChI Key

GMCIQRLJDDHWME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178082

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

471.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.878

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-2.19

Polar Surface Area

75.031

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

F594-0496 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F594-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0496?
Check Price and Availability of F594-0496, 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 F594-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0496
  • 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 F594-0496 available by request