F594-0681 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)propyl]benzamide

F594-0681 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)propyl]benzamide
F594-0681 Screening compound: 4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F594-0681
4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)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

F594-0681

Molecular Formula

C20H30BrN3O3 (C20 H30 BrN3 O3)

Compound Name

4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)propyl]benzamide

IUPAC name

4-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(propan-2-yloxy)propyl]benzamide

SMILES

CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c(cc1)ccc1Br)=O

InChI

InChI=1S/C20H30BrN3O3/c1-16(2)27-15-3-11-24(20(26)17-4-6-18(21)7-5-17)12-8-19(25)23-13-9-22-10-14-23/h4-7,16,22H,3,8-15H2,1-2H3

InChI Key

IJVXMBOHGDEKPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178191

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

440.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.264

Distribution Coefficient, logD

0.436

Water Solubility, LogSw

-1.93

Polar Surface Area

51.960

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

F594-0681 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F594-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F594-0681?
Check Price and Availability of F594-0681, 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 F594-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F594-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F594-0681
  • 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 F594-0681 available by request