K659-0741 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-1-sulfonamide

K659-0741 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
K659-0741 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0741
5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-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

K659-0741

Molecular Formula

C33H36N4O5S (C33 H36 N4 O5 S)

Compound Name

5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-1-sulfonamide

IUPAC name

5-(4-benzylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)-2-{[(2-methoxyphenyl)methyl]amino}benzene-1-sulfonamide

SMILES

COc1cccc(NS(c(cc(cc2)C(N3CCN(Cc4ccccc4)CC3)=O)c2NCc(cccc2)c2OC)(=O)=O)c1

InChI

InChI=1S/C33H36N4O5S/c1-41-29-13-8-12-28(22-29)35-43(39,40)32-21-26(15-16-30(32)34-23-27-11-6-7-14-31(27)42-2)33(38)37-19-17-36(18-20-37)24-25-9-4-3-5-10-25/h3-16,21-22,34-35H,17-20,23-24H2,1-2H3

InChI Key

XTTBNZTWNNVTIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.455

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.26

Polar Surface Area

85.788

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.20

K659-0741 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K659-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0741?
Check Price and Availability of K659-0741, 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 K659-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0741
  • 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 K659-0741 available by request