K786-0072 Screening compound: N-{3-[butyl(methyl)amino]propyl}-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

K786-0072 Screening compound: N-{3-[butyl(methyl)amino]propyl}-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
K786-0072 Screening compound: N-{3-[butyl(methyl)amino]propyl}-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0072
N-{3-[butyl(methyl)amino]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

K786-0072

Molecular Formula

C22H34N4O4S (C22 H34 N4 O4 S)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-6-(diethylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-6-(diethylsulfamoyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCCCN(C)CCCNC(C1=CNc(ccc(S(N(CC)CC)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C22H34N4O4S/c1-5-8-13-25(4)14-9-12-23-22(28)19-16-24-20-11-10-17(15-18(20)21(19)27)31(29,30)26(6-2)7-3/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,23,28)(H,24,27)

InChI Key

GXTNVMVQBAYAOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-3.16

Polar Surface Area

84.053

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

K786-0072 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0072?
Check Price and Availability of K786-0072, 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 K786-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0072
  • 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 K786-0072 available by request