K786-8963 Screening compound: N-{3-[4-(2-fluorophenyl)piperazino]propyl}-3-[(2-methylbenzyl)sulfonyl]propanamide

K786-8963 Screening compound: N-{3-[4-(2-fluorophenyl)piperazino]propyl}-3-[(2-methylbenzyl)sulfonyl]propanamide
K786-8963 Screening compound: N-{3-[4-(2-fluorophenyl)piperazino]propyl}-3-[(2-methylbenzyl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8963
N-{3-[4-(2-fluorophenyl)piperazino]propyl}-3-[(2-methylbenzyl)sulfonyl]propanamide

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

K786-8963

Molecular Formula

C24H32FN3O3S (C24 H32 FN3 O3 S)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazino]propyl}-3-[(2-methylbenzyl)sulfonyl]propanamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-3-[(2-methylphenyl)methanesulfonyl]propanamide

SMILES

Cc1c(CS(CCC(NCCCN(CC2)CCN2c(cccc2)c2F)=O)(=O)=O)cccc1

InChI

InChI=1S/C24H32FN3O3S/c1-20-7-2-3-8-21(20)19-32(30,31)18-11-24(29)26-12-6-13-27-14-16-28(17-15-27)23-10-5-4-9-22(23)25/h2-5,7-10H,6,11-19H2,1H3,(H,26,29)

InChI Key

RTGQXVBORQBRTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.521

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.69

Polar Surface Area

59.522

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

K786-8963 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-8963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8963?
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What is the minimum amount of K786-8963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8963
  • 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 K786-8963 available by request