0090-0039 Screening compound: N-benzyl-4-[4-(benzylsulfamoyl)phenoxy]benzene-1-sulfonamide

0090-0039 Screening compound: N-benzyl-4-[4-(benzylsulfamoyl)phenoxy]benzene-1-sulfonamide
0090-0039 Screening compound: N-benzyl-4-[4-(benzylsulfamoyl)phenoxy]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0090-0039
N-benzyl-4-[4-(benzylsulfamoyl)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

0090-0039

Molecular Formula

C26H24N2O5S2 (C26 H24 N2 O5 S2)

Compound Name

N-benzyl-4-[4-(benzylsulfamoyl)phenoxy]benzene-1-sulfonamide

IUPAC name

N-benzyl-4-[4-(benzylsulfamoyl)phenoxy]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Oc(cc1)ccc1S(NCc1ccccc1)(=O)=O)(NCc1ccccc1)=O

InChI

InChI=1S/C26H24N2O5S2/c29-34(30,27-19-21-7-3-1-4-8-21)25-15-11-23(12-16-25)33-24-13-17-26(18-14-24)35(31,32)28-20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2

InChI Key

GYWOPOCLXYZAHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00568694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.73

Polar Surface Area

90.503

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0090-0039 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0090-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0090-0039?
Check Price and Availability of 0090-0039, 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 0090-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0090-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0090-0039
  • 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 0090-0039 available by request