K786-9209 Screening compound: N-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide

K786-9209 Screening compound: N-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide
K786-9209 Screening compound: N-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9209
N-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide

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

K786-9209

Molecular Formula

C26H33N3O5S (C26 H33 N3 O5 S)

Compound Name

N-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(5-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-(piperidin-1-yl)phenyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cc(cc1)C(N(CC2)CCC22OCCO2)=O)c1N1CCCCC1)(=O)=O

InChI

InChI=1S/C26H33N3O5S/c1-20-5-8-22(9-6-20)35(31,32)27-23-19-21(7-10-24(23)28-13-3-2-4-14-28)25(30)29-15-11-26(12-16-29)33-17-18-34-26/h5-10,19,27H,2-4,11-18H2,1H3

InChI Key

FCVBJJOWDJUFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-3.93

Polar Surface Area

74.427

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K786-9209 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K786-9209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9209?
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What is the minimum amount of K786-9209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9209
  • 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 K786-9209 available by request