K786-0078 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

K786-0078 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
K786-0078 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0078
N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-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

K786-0078

Molecular Formula

C29H38N4O4S (C29 H38 N4 O4 S)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-6-(diethylsulfamoyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCN(CC)S(c(cc1)cc2c1NC=C(C(NCCCN1CCC(Cc3ccccc3)CC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C29H38N4O4S/c1-3-33(4-2)38(36,37)24-11-12-27-25(20-24)28(34)26(21-31-27)29(35)30-15-8-16-32-17-13-23(14-18-32)19-22-9-6-5-7-10-22/h5-7,9-12,20-21,23H,3-4,8,13-19H2,1-2H3,(H,30,35)(H,31,34)

InChI Key

FUDCFGVJQIVKRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-4.06

Polar Surface Area

83.420

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

K786-0078 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0078?
Check Price and Availability of K786-0078, 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 K786-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0078
  • 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 K786-0078 available by request