K784-5184 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione

K784-5184 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione
K784-5184 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5184
4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)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

K784-5184

Molecular Formula

C28H34N2O6 (C28 H34 N2 O6)

Compound Name

4-[(2H-1,3-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione

IUPAC name

4-[(2H-13-benzodioxol-5-yl)methyl]-1-cyclohexyl-3-(3-methoxy-4-propoxyphenyl)piperazine-25-dione

SMILES

CCCOc(ccc(C(C(N(C1)C2CCCCC2)=O)N(Cc(cc2)cc3c2OCO3)C1=O)c1)c1OC

InChI

InChI=1S/C28H34N2O6/c1-3-13-34-22-12-10-20(15-24(22)33-2)27-28(32)29(21-7-5-4-6-8-21)17-26(31)30(27)16-19-9-11-23-25(14-19)36-18-35-23/h9-12,14-15,21,27H,3-8,13,16-18H2,1-2H3/t27-/m0/s1

InChI Key

IHQLBMOFYDOMQP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15098005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.42

Polar Surface Area

64.198

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K784-5184 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-5184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5184?
Check Price and Availability of K784-5184, 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 K784-5184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5184
  • 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 K784-5184 available by request