C301-8863 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide

C301-8863 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide
C301-8863 Screening compound: N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8863
N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide

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

C301-8863

Molecular Formula

C16H15FN2O3S2 (C16 H15 FN2 O3 S2)

Compound Name

N-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide

IUPAC name

N-(3-ethyl-2-oxo-23-dihydro-13-benzothiazol-6-yl)-4-fluoro-3-methylbenzene-1-sulfonamide

SMILES

CCN(c(ccc(NS(c(cc1)cc(C)c1F)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C16H15FN2O3S2/c1-3-19-14-7-4-11(9-15(14)23-16(19)20)18-24(21,22)12-5-6-13(17)10(2)8-12/h4-9,18H,3H2,1-2H3

InChI Key

NWCDBGAZNITLSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-4.10

Polar Surface Area

56.457

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C301-8863 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Nucleic Acid Ligands (8311 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:
  • Immune system
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C301-8863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8863?
Check Price and Availability of C301-8863, 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 C301-8863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8863
  • 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 C301-8863 available by request