K691-0080 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)benzene-1-sulfonamide

K691-0080 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)benzene-1-sulfonamide
K691-0080 Screening compound: N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0080
N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)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

K691-0080

Molecular Formula

C28H28N2O7S2 (C28 H28 N2 O7 S2)

Compound Name

N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)benzene-1-sulfonamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-(4-{[(2-methoxyphenyl)methyl]sulfamoyl}phenoxy)benzene-1-sulfonamide

SMILES

COc1c(CNS(c(cc2)ccc2Oc(cc2)ccc2S(NCc(cccc2)c2OC)(=O)=O)(=O)=O)cccc1

InChI

InChI=1S/C28H28N2O7S2/c1-35-27-9-5-3-7-21(27)19-29-38(31,32)25-15-11-23(12-16-25)37-24-13-17-26(18-14-24)39(33,34)30-20-22-8-4-6-10-28(22)36-2/h3-18,29-30H,19-20H2,1-2H3

InChI Key

YIHVXSPCDBXIRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-5.72

Polar Surface Area

105.764

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K691-0080 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K691-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0080?
Check Price and Availability of K691-0080, 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 K691-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0080
  • 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 K691-0080 available by request