K691-0149 Screening compound: 4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine

K691-0149 Screening compound: 4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine
K691-0149 Screening compound: 4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0149
4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine

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

K691-0149

Molecular Formula

C25H34N2O4S2 (C25 H34 N2 O4 S2)

Compound Name

4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine

IUPAC name

4-methyl-1-[4-({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}methyl)benzenesulfonyl]piperidine

SMILES

CC(CC1)CCN1S(c1ccc(Cc(cc2)ccc2S(N2CCC(C)CC2)(=O)=O)cc1)(=O)=O

InChI

InChI=1S/C25H34N2O4S2/c1-20-11-15-26(16-12-20)32(28,29)24-7-3-22(4-8-24)19-23-5-9-25(10-6-23)33(30,31)27-17-13-21(2)14-18-27/h3-10,20-21H,11-19H2,1-2H3

InChI Key

NQKUCPIQMUNOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-4.61

Polar Surface Area

63.389

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

K691-0149 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K691-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0149?
Check Price and Availability of K691-0149, 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 K691-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0149
  • 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 K691-0149 available by request