5042-0825 Screening compound: 2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide

5042-0825 Screening compound: 2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide
5042-0825 Screening compound: 2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5042-0825
2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide

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

5042-0825

Molecular Formula

C28H24N2O6S (C28 H24 N2 O6 S)

Compound Name

2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide

IUPAC name

2-phenoxy-N-{3-[3-(2-phenoxyacetamido)benzenesulfonyl]phenyl}acetamide

SMILES

O=C(COc1ccccc1)Nc1cccc(S(c2cc(NC(COc3ccccc3)=O)ccc2)(=O)=O)c1

InChI

InChI=1S/C28H24N2O6S/c31-27(19-35-23-11-3-1-4-12-23)29-21-9-7-15-25(17-21)37(33,34)26-16-8-10-22(18-26)30-28(32)20-36-24-13-5-2-6-14-24/h1-18H,19-20H2,(H,29,31)(H,30,32)

InChI Key

VBKFHLZTQQMGIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02767226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.75

Polar Surface Area

90.493

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5042-0825 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5042-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5042-0825?
Check Price and Availability of 5042-0825, 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 5042-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5042-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5042-0825
  • 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 5042-0825 available by request