K784-7030 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione

K784-7030 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione
K784-7030 Screening compound: 4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7030
4-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)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

K784-7030

Molecular Formula

C27H32N2O3 (C27 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(N(CCc2ccccc2)C2)=O)N(CCC3=CCCCC3)C2=O)cc1

InChI

InChI=1S/C27H32N2O3/c1-32-24-14-12-23(13-15-24)26-27(31)28(18-16-21-8-4-2-5-9-21)20-25(30)29(26)19-17-22-10-6-3-7-11-22/h2,4-5,8-10,12-15,26H,3,6-7,11,16-20H2,1H3/t26-/m0/s1

InChI Key

CBAHELBTOFPUFG-SANMLTNESA-N

MDL Number (MFCD)

MFCD15098644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.27

Polar Surface Area

40.253

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

K784-7030 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K784-7030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7030?
Check Price and Availability of K784-7030, 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 K784-7030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7030
  • 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 K784-7030 available by request