K784-5404 Screening compound: 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione

K784-5404 Screening compound: 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione
K784-5404 Screening compound: 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(thiophen-2-yl)methyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5404
1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(thiophen-2-yl)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

K784-5404

Molecular Formula

C24H30N2O4S (C24 H30 N2 O4 S)

Compound Name

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

IUPAC name

1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-[(thiophen-2-yl)methyl]piperazine-25-dione

SMILES

CCOc(ccc(C(C(N(C1)C2CCCCC2)=O)N(Cc2cccs2)C1=O)c1)c1OC

InChI

InChI=1S/C24H30N2O4S/c1-3-30-20-12-11-17(14-21(20)29-2)23-24(28)25(18-8-5-4-6-9-18)16-22(27)26(23)15-19-10-7-13-31-19/h7,10-14,18,23H,3-6,8-9,15-16H2,1-2H3/t23-/m0/s1

InChI Key

HNWFAVLMOBIPFS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15098113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

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

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-3.86

Polar Surface Area

47.807

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K784-5404 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-5404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5404?
Check Price and Availability of K784-5404, 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 K784-5404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5404
  • 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 K784-5404 available by request