4478-3712 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide

4478-3712 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide
4478-3712 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3712
N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide

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

4478-3712

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H24N2O4S/c23-20(16-26-18-8-4-3-5-9-18)21-17-10-12-19(13-11-17)27(24,25)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23)

InChI Key

OZZFOAUHSZYFCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01613187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.77

Polar Surface Area

62.657

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4478-3712 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4478-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3712?
Check Price and Availability of 4478-3712, 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 4478-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3712
  • 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 4478-3712 available by request