K691-0072 Screening compound: N-(3-METHYLBUTYL)-4-{4-[(3-METHYLBUTYL)SULFAMOYL]PHENOXY}BENZENE-1-SULFONAMIDE

K691-0072 Screening compound: N-(3-METHYLBUTYL)-4-{4-[(3-METHYLBUTYL)SULFAMOYL]PHENOXY}BENZENE-1-SULFONAMIDE
K691-0072 Screening compound: N-(3-METHYLBUTYL)-4-{4-[(3-METHYLBUTYL)SULFAMOYL]PHENOXY}BENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0072
N-(3-METHYLBUTYL)-4-{4-[(3-METHYLBUTYL)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

K691-0072

Molecular Formula

C22H32N2O5S2 (C22 H32 N2 O5 S2)

Compound Name

N-(3-METHYLBUTYL)-4-{4-[(3-METHYLBUTYL)SULFAMOYL]PHENOXY}BENZENE-1-SULFONAMIDE

IUPAC name

n/a

SMILES

CC(C)CCNS(c(cc1)ccc1Oc(cc1)ccc1S(NCCC(C)C)(=O)=O)(=O)=O

InChI

InChI=1S/C22H32N2O5S2/c1-17(2)13-15-23-30(25,26)21-9-5-19(6-10-21)29-20-7-11-22(12-8-20)31(27,28)24-16-14-18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3

InChI Key

VSKAYSIHUPIZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.63

Polar Surface Area

90.729

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K691-0072 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K691-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0072?
Check Price and Availability of K691-0072, 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 K691-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0072
  • 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 K691-0072 available by request