4695-1810 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

4695-1810 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate
4695-1810 Screening compound: 2-(2,5-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-1810
2-(2,5-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

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

4695-1810

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

2-(2,5-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

IUPAC name

2-(25-dimethylphenyl)-2-oxoethyl 2-benzenesulfonamidoacetate

SMILES

Cc1cc(C(COC(CNS(c2ccccc2)(=O)=O)=O)=O)c(C)cc1

InChI

InChI=1S/C18H19NO5S/c1-13-8-9-14(2)16(10-13)17(20)12-24-18(21)11-19-25(22,23)15-6-4-3-5-7-15/h3-10,19H,11-12H2,1-2H3

InChI Key

PFRFPUIFDBUYHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.44

Polar Surface Area

75.778

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4695-1810 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with 4695-1810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-1810?
Check Price and Availability of 4695-1810, 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 4695-1810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-1810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-1810
  • 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 4695-1810 available by request