K784-5878 Screening compound: 3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione

K784-5878 Screening compound: 3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione
K784-5878 Screening compound: 3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5878
3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-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

K784-5878

Molecular Formula

C29H38N2O4 (C29 H38 N2 O4)

Compound Name

3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-4-[(4-methylphenyl)methyl]piperazine-2,5-dione

IUPAC name

3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1-(4-methylcyclohexyl)-4-[(4-methylphenyl)methyl]piperazine-25-dione

SMILES

CC(C)Oc(ccc(C(C(N(C1)C2CCC(C)CC2)=O)N(Cc2ccc(C)cc2)C1=O)c1)c1OC

InChI

InChI=1S/C29H38N2O4/c1-19(2)35-25-15-12-23(16-26(25)34-5)28-29(33)30(24-13-8-21(4)9-14-24)18-27(32)31(28)17-22-10-6-20(3)7-11-22/h6-7,10-12,15-16,19,21,24,28H,8-9,13-14,17-18H2,1-5H3/t21?,24?,28-/m0/s1

InChI Key

MRWQDRDAUDYREX-UMFKEYKBSA-N

MDL Number (MFCD)

MFCD15098308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.63

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

5.381

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.37

Polar Surface Area

46.467

Acid Dissociation Constant (pKa)

19.83

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

K784-5878 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 K784-5878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5878?
Check Price and Availability of K784-5878, 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 K784-5878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5878
  • 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 K784-5878 available by request