K786-0887 Screening compound: 5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

K786-0887 Screening compound: 5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide
K786-0887 Screening compound: 5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0887
5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

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

K786-0887

Molecular Formula

C26H34N2O4S (C26 H34 N2 O4 S)

Compound Name

5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

IUPAC name

5-(dibutylsulfamoyl)-3-methyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

SMILES

CCCCN(CCCC)S(c(cc1)cc2c1oc(C(NCc1ccc(C)cc1)=O)c2C)(=O)=O

InChI

InChI=1S/C26H34N2O4S/c1-5-7-15-28(16-8-6-2)33(30,31)22-13-14-24-23(17-22)20(4)25(32-24)26(29)27-18-21-11-9-19(3)10-12-21/h9-14,17H,5-8,15-16,18H2,1-4H3,(H,27,29)

InChI Key

FPBFMJGXAGFPKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.285

Distribution Coefficient, logD

6.285

Water Solubility, LogSw

-5.37

Polar Surface Area

64.781

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K786-0887 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
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 K786-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0887?
Check Price and Availability of K786-0887, 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 K786-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0887
  • 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 K786-0887 available by request