K786-9106 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-carboxamide

K786-9106 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-carboxamide
K786-9106 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9106
N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-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

K786-9106

Molecular Formula

C30H32ClN3OS (C30 H32 ClN3 OS)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-2-[(3-chlorophenyl)sulfanyl]quinoline-4-carboxamide

SMILES

CCCCN(CCCNC(c1cc(Sc2cccc(Cl)c2)nc2ccccc12)=O)Cc1ccccc1

InChI

InChI=1S/C30H32ClN3OS/c1-2-3-18-34(22-23-11-5-4-6-12-23)19-10-17-32-30(35)27-21-29(33-28-16-8-7-15-26(27)28)36-25-14-9-13-24(31)20-25/h4-9,11-16,20-21H,2-3,10,17-19,22H2,1H3,(H,32,35)

InChI Key

SUVBBOOTXPHYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.606

Distribution Coefficient, logD

6.043

Water Solubility, LogSw

-6.32

Polar Surface Area

35.853

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

K786-9106 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K786-9106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9106?
Check Price and Availability of K786-9106, 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 K786-9106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9106
  • 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 K786-9106 available by request