C515-0017 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

C515-0017 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide
C515-0017 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C515-0017
N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

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

C515-0017

Molecular Formula

C17H13ClF3N3O4S (C17 H13 ClF3 N3 O4 S)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-14-dimethyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

CN(c(ccc(S(Nc(cc1)cc(C(F)(F)F)c1Cl)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C17H13ClF3N3O4S/c1-23-13-6-4-10(8-14(13)24(2)16(26)15(23)25)29(27,28)22-9-3-5-12(18)11(7-9)17(19,20)21/h3-8,22H,1-2H3

InChI Key

UETPCFNOWMNJOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-3.77

Polar Surface Area

71.247

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C515-0017 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C515-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C515-0017?
Check Price and Availability of C515-0017, 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 C515-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C515-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C515-0017
  • 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 C515-0017 available by request