K784-6264 Screening compound: (2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide

K784-6264 Screening compound: (2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide
K784-6264 Screening compound: (2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6264
(2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide

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

K784-6264

Molecular Formula

C31H28ClN3O5 (C31 H28 ClN3 O5)

Compound Name

(2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide

IUPAC name

(2Z)-N'-(4-chlorophenyl)-N-({[(furan-2-yl)methyl]carbamoyl}(4-methylphenyl)methyl)-N-(4-methoxyphenyl)but-2-enediamide

SMILES

Cc1ccc(C(C(NCc2ccco2)=O)N(C(/C=C\C(Nc(cc2)ccc2Cl)=O)=O)c(cc2)ccc2OC)cc1

InChI

InChI=1S/C31H28ClN3O5/c1-21-5-7-22(8-6-21)30(31(38)33-20-27-4-3-19-40-27)35(25-13-15-26(39-2)16-14-25)29(37)18-17-28(36)34-24-11-9-23(32)10-12-24/h3-19,30H,20H2,1-2H3,(H,33,38)(H,34,36)/t30-/m1/s1

InChI Key

DRTISCPJUNBYRJ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03451613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

5.504

Water Solubility, LogSw

-6.20

Polar Surface Area

77.010

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

K784-6264 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-6264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6264?
Check Price and Availability of K784-6264, 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 K784-6264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6264
  • 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 K784-6264 available by request