K786-2265 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide

K786-2265 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide
K786-2265 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2265
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-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

K786-2265

Molecular Formula

C29H37N5O4S (C29 H37 N5 O4 S)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-2-oxo-6-(piperidine-1-sulfonyl)-12-dihydroquinoline-4-carboxamide

SMILES

O=C(C(c(cc(cc1)S(N2CCCCC2)(=O)=O)c1N1)=CC1=O)NCCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C29H37N5O4S/c35-28-21-26(25-20-24(10-11-27(25)31-28)39(37,38)34-14-5-2-6-15-34)29(36)30-12-7-13-32-16-18-33(19-17-32)22-23-8-3-1-4-9-23/h1,3-4,8-11,20-21H,2,5-7,12-19,22H2,(H,30,36)(H,31,35)

InChI Key

JKEJKFMZNFHRMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-3.25

Polar Surface Area

88.548

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

K786-2265 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K786-2265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2265?
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What is the minimum amount of K786-2265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2265
  • 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 K786-2265 available by request