F512-0615 Screening compound: N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

F512-0615 Screening compound: N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide
F512-0615 Screening compound: N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F512-0615
N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

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

F512-0615

Molecular Formula

C21H28FN3O3 (C21 H28 FN3 O3)

Compound Name

N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl}acetamide

IUPAC name

N-cyclooctyl-2-{4-[(4-fluorophenyl)methyl]-23-dioxopiperazin-1-yl}acetamide

SMILES

O=C(CN(CCN(Cc(cc1)ccc1F)C1=O)C1=O)NC1CCCCCCC1

InChI

InChI=1S/C21H28FN3O3/c22-17-10-8-16(9-11-17)14-24-12-13-25(21(28)20(24)27)15-19(26)23-18-6-4-2-1-3-5-7-18/h8-11,18H,1-7,12-15H2,(H,23,26)

InChI Key

GEGSPRDRAOQCDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

2.661

Water Solubility, LogSw

-2.83

Polar Surface Area

57.811

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F512-0615 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F512-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F512-0615?
Check Price and Availability of F512-0615, 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 F512-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F512-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F512-0615
  • 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 F512-0615 available by request