K784-5016 Screening compound: 1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione

K784-5016 Screening compound: 1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
K784-5016 Screening compound: 1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5016
1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)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

K784-5016

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione

IUPAC name

1-cyclohexyl-3-(34-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-25-dione

SMILES

COc1cccc(CN(C(c(cc2)cc(OC)c2OC)C(N(C2)C3CCCCC3)=O)C2=O)c1

InChI

InChI=1S/C26H32N2O5/c1-31-21-11-7-8-18(14-21)16-28-24(29)17-27(20-9-5-4-6-10-20)26(30)25(28)19-12-13-22(32-2)23(15-19)33-3/h7-8,11-15,20,25H,4-6,9-10,16-17H2,1-3H3/t25-/m0/s1

InChI Key

UNWXFKPUGGOREK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15097972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.90

Polar Surface Area

54.752

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K784-5016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 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 K784-5016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5016?
Check Price and Availability of K784-5016, 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 K784-5016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5016
  • 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 K784-5016 available by request