K784-6594 Screening compound: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione

K784-6594 Screening compound: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione
K784-6594 Screening compound: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6594
1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]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

K784-6594

Molecular Formula

C28H36N2O4 (C28 H36 N2 O4)

Compound Name

1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione

IUPAC name

1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylphenyl)methyl]piperazine-25-dione

SMILES

CCOc(ccc(C(C(N(C1)C2CCCCCC2)=O)N(Cc2ccc(C)cc2)C1=O)c1)c1OC

InChI

InChI=1S/C28H36N2O4/c1-4-34-24-16-15-22(17-25(24)33-3)27-28(32)29(23-9-7-5-6-8-10-23)19-26(31)30(27)18-21-13-11-20(2)12-14-21/h11-17,23,27H,4-10,18-19H2,1-3H3/t27-/m0/s1

InChI Key

GBGDWVXGLJAXRJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15098560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.54

Polar Surface Area

47.119

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K784-6594 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K784-6594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6594?
Check Price and Availability of K784-6594, 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 K784-6594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6594
  • 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 K784-6594 available by request