K784-5662 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione

K784-5662 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione
K784-5662 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5662
4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-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

K784-5662

Molecular Formula

C25H33FN2O2 (C25 H33 FN2 O2)

Compound Name

4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione

IUPAC name

4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-fluorophenyl)-1-(4-methylcyclohexyl)piperazine-25-dione

SMILES

CC(CC1)CCC1N(CC(N(CCC1=CCCCC1)C1c(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C25H33FN2O2/c1-18-7-13-22(14-8-18)28-17-23(29)27(16-15-19-5-3-2-4-6-19)24(25(28)30)20-9-11-21(26)12-10-20/h5,9-12,18,22,24H,2-4,6-8,13-17H2,1H3/t18?,22?,24-/m0/s1

InChI Key

UBDIOQNRACORFG-RWRPHHHKSA-N

MDL Number (MFCD)

MFCD05032894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.332

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.18

Polar Surface Area

32.118

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

K784-5662 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K784-5662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5662?
Check Price and Availability of K784-5662, 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 K784-5662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5662
  • 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 K784-5662 available by request