3886-0558 Screening compound: 4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)benzene-1-sulfonamide

3886-0558 Screening compound: 4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)benzene-1-sulfonamide
3886-0558 Screening compound: 4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0558
4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)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

3886-0558

Molecular Formula

C28H35NO6S2 (C28 H35 NO6 S2)

Compound Name

4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)benzene-1-sulfonamide

IUPAC name

4-butoxy-N-(4-butoxybenzenesulfonyl)-N-(2-phenylethyl)benzene-1-sulfonamide

SMILES

CCCCOc(cc1)ccc1S(N(CCc1ccccc1)S(c(cc1)ccc1OCCCC)(=O)=O)(=O)=O

InChI

InChI=1S/C28H35NO6S2/c1-3-5-22-34-25-12-16-27(17-13-25)36(30,31)29(21-20-24-10-8-7-9-11-24)37(32,33)28-18-14-26(15-19-28)35-23-6-4-2/h7-19H,3-6,20-23H2,1-2H3

InChI Key

CPHYRQZOHPWRSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.117

Distribution Coefficient, logD

7.117

Water Solubility, LogSw

-5.82

Polar Surface Area

74.220

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

-18.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3886-0558 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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 3886-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0558?
Check Price and Availability of 3886-0558, 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 3886-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0558
  • 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 3886-0558 available by request