K786-2917 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

K786-2917 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide
K786-2917 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2917
N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

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

K786-2917

Molecular Formula

C27H29ClN2O3S (C27 H29 ClN2 O3 S)

Compound Name

N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

IUPAC name

N-[1-(4-butoxyphenyl)ethyl]-4-[(4-chlorophenyl)sulfanyl]-3-acetamidobenzamide

SMILES

CCCCOc1ccc(C(C)NC(c(cc2)cc(NC(C)=O)c2Sc(cc2)ccc2Cl)=O)cc1

InChI

InChI=1S/C27H29ClN2O3S/c1-4-5-16-33-23-11-6-20(7-12-23)18(2)29-27(32)21-8-15-26(25(17-21)30-19(3)31)34-24-13-9-22(28)10-14-24/h6-15,17-18H,4-5,16H2,1-3H3,(H,29,32)(H,30,31)/t18-/m0/s1

InChI Key

PFJMDKBUUBLUNG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15100687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.283

Distribution Coefficient, logD

6.283

Water Solubility, LogSw

-6.26

Polar Surface Area

53.525

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

K786-2917 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-2917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2917?
Check Price and Availability of K786-2917, 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 K786-2917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2917
  • 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 K786-2917 available by request