K659-0708 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-(3-methoxyphenyl)benzene-1-sulfonamide

K659-0708 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-(3-methoxyphenyl)benzene-1-sulfonamide
K659-0708 Screening compound: 5-(4-benzylpiperazine-1-carbonyl)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-(3-methoxyphenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0708
5-(4-benzylpiperazine-1-carbonyl)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-(3-methoxyphenyl)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

K659-0708

Molecular Formula

C35H40N4O6S (C35 H40 N4 O6 S)

Compound Name

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

IUPAC name

5-(4-benzylpiperazine-1-carbonyl)-2-{[2-(34-dimethoxyphenyl)ethyl]amino}-N-(3-methoxyphenyl)benzene-1-sulfonamide

SMILES

COc1cccc(NS(c(cc(cc2)C(N3CCN(Cc4ccccc4)CC3)=O)c2NCCc(cc2)cc(OC)c2OC)(=O)=O)c1

InChI

InChI=1S/C35H40N4O6S/c1-43-30-11-7-10-29(24-30)37-46(41,42)34-23-28(35(40)39-20-18-38(19-21-39)25-27-8-5-4-6-9-27)13-14-31(34)36-17-16-26-12-15-32(44-2)33(22-26)45-3/h4-15,22-24,36-37H,16-21,25H2,1-3H3

InChI Key

UFJVMKILPIUHAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.79

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-4.13

Polar Surface Area

93.260

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K659-0708 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
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

References: we are preparing a list of scientific research reports with K659-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0708?
Check Price and Availability of K659-0708, 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 K659-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0708
  • 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 K659-0708 available by request