F512-0817 Screening compound: 1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione

F512-0817 Screening compound: 1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
F512-0817 Screening compound: 1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F512-0817
1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione

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

F512-0817

Molecular Formula

C26H31FN4O3 (C26 H31 FN4 O3)

Compound Name

1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione

IUPAC name

1-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-4-[(4-fluorophenyl)methyl]piperazine-23-dione

SMILES

CCC(C(N1CCN(Cc2ccccc2)CC1)=O)N(CCN(Cc(cc1)ccc1F)C1=O)C1=O

InChI

InChI=1S/C26H31FN4O3/c1-2-23(24(32)29-14-12-28(13-15-29)18-20-6-4-3-5-7-20)31-17-16-30(25(33)26(31)34)19-21-8-10-22(27)11-9-21/h3-11,23H,2,12-19H2,1H3/t23-/m0/s1

InChI Key

DPVBQRLOOVMKSS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27170731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.35

Polar Surface Area

52.835

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

F512-0817 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CORONAVIRUS Library (20774 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F512-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F512-0817?
Check Price and Availability of F512-0817, 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 F512-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F512-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F512-0817
  • 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 F512-0817 available by request