K691-0093 Screening compound: methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate

K691-0093 Screening compound: methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate
K691-0093 Screening compound: methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0093
methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate

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

K691-0093

Molecular Formula

C18H20N2O9S2 (C18 H20 N2 O9 S2)

Compound Name

methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate

IUPAC name

methyl 2-(4-{4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenoxy}benzenesulfonamido)acetate

SMILES

COC(CNS(c(cc1)ccc1Oc(cc1)ccc1S(NCC(OC)=O)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C18H20N2O9S2/c1-27-17(21)11-19-30(23,24)15-7-3-13(4-8-15)29-14-5-9-16(10-6-14)31(25,26)20-12-18(22)28-2/h3-10,19-20H,11-12H2,1-2H3

InChI Key

ZURPAXDCZXWXNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.32

Polar Surface Area

132.204

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K691-0093 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K691-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0093?
Check Price and Availability of K691-0093, 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 K691-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0093
  • 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 K691-0093 available by request