K786-9533 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

K786-9533 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide
K786-9533 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9533
N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

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

K786-9533

Molecular Formula

C33H44N4O3S (C33 H44 N4 O3 S)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-3-(4-methylbenzenesulfonamido)-4-(piperidin-1-yl)benzamide

SMILES

CCCCN(CCCNC(c(cc1)cc(NS(c2ccc(C)cc2)(=O)=O)c1N1CCCCC1)=O)Cc1ccccc1

InChI

InChI=1S/C33H44N4O3S/c1-3-4-21-36(26-28-12-7-5-8-13-28)22-11-20-34-33(38)29-16-19-32(37-23-9-6-10-24-37)31(25-29)35-41(39,40)30-17-14-27(2)15-18-30/h5,7-8,12-19,25,35H,3-4,6,9-11,20-24,26H2,1-2H3,(H,34,38)

InChI Key

DCYNDXMKEYQWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.366

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-5.33

Polar Surface Area

71.537

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.40

K786-9533 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-9533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9533?
Check Price and Availability of K786-9533, 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 K786-9533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9533
  • 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 K786-9533 available by request