5256-6080 Screening compound: ethyl 2-benzenesulfonamido-2-acetamido-3,3,3-trifluoropropanoate

5256-6080 Screening compound: ethyl 2-benzenesulfonamido-2-acetamido-3,3,3-trifluoropropanoate
5256-6080 Screening compound: ethyl 2-benzenesulfonamido-2-acetamido-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-6080
ethyl 2-benzenesulfonamido-2-acetamido-3,3,3-trifluoropropanoate

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

5256-6080

Molecular Formula

C13H15F3N2O5S (C13 H15 F3 N2 O5 S)

Compound Name

ethyl 2-benzenesulfonamido-2-acetamido-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-benzenesulfonamido-2-acetamido-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(C)=O)NS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C13H15F3N2O5S/c1-3-23-11(20)12(13(14,15)16,17-9(2)19)18-24(21,22)10-7-5-4-6-8-10/h4-8,18H,3H2,1-2H3,(H,17,19)/t12-/m1/s1

InChI Key

KBOOPBXNYAWVLM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00566144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

-0.458

Water Solubility, LogSw

-2.32

Polar Surface Area

86.188

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

-9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

5256-6080 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5256-6080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-6080?
Check Price and Availability of 5256-6080, 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 5256-6080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-6080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-6080
  • 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 5256-6080 available by request