4100-2738 Screening compound: ethyl 3-(4-acetamidobenzenesulfonamido)benzoate

4100-2738 Screening compound: ethyl 3-(4-acetamidobenzenesulfonamido)benzoate
4100-2738 Screening compound: ethyl 3-(4-acetamidobenzenesulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-2738
ethyl 3-(4-acetamidobenzenesulfonamido)benzoate

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

4100-2738

Molecular Formula

C17H18N2O5S (C17 H18 N2 O5 S)

Compound Name

ethyl 3-(4-acetamidobenzenesulfonamido)benzoate

IUPAC name

ethyl 3-(4-acetamidobenzenesulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)ccc2NC(C)=O)(=O)=O)c1)=O

InChI

InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-5-4-6-15(11-13)19-25(22,23)16-9-7-14(8-10-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)

InChI Key

MSGMONYUTBYKQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02861896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.908

Water Solubility, LogSw

-3.43

Polar Surface Area

84.904

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4100-2738 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 4100-2738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-2738?
Check Price and Availability of 4100-2738, 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 4100-2738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-2738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-2738
  • 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 4100-2738 available by request