K786-9216 Screening compound: N-[5-(4-benzylpiperazine-1-carbonyl)-2-(piperidin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide

K786-9216 Screening compound: N-[5-(4-benzylpiperazine-1-carbonyl)-2-(piperidin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide
K786-9216 Screening compound: N-[5-(4-benzylpiperazine-1-carbonyl)-2-(piperidin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9216
N-[5-(4-benzylpiperazine-1-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

K786-9216

Molecular Formula

C30H36N4O3S (C30 H36 N4 O3 S)

Compound Name

N-[5-(4-benzylpiperazine-1-carbonyl)-2-(piperidin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[5-(4-benzylpiperazine-1-carbonyl)-2-(piperidin-1-yl)phenyl]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cc(cc1)C(N2CCN(Cc3ccccc3)CC2)=O)c1N1CCCCC1)(=O)=O

InChI

InChI=1S/C30H36N4O3S/c1-24-10-13-27(14-11-24)38(36,37)31-28-22-26(12-15-29(28)33-16-6-3-7-17-33)30(35)34-20-18-32(19-21-34)23-25-8-4-2-5-9-25/h2,4-5,8-15,22,31H,3,6-7,16-21,23H2,1H3

InChI Key

BXEXTBHJGQSCPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-4.28

Polar Surface Area

63.530

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

K786-9216 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 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
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K786-9216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9216?
Check Price and Availability of K786-9216, 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 K786-9216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9216
  • 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 K786-9216 available by request